Anti-infectives are drugs that can either kill an infectious agent or inhibit it from spreading. Anti-infectives include antibiotics and antibacterials, antifungals, antivirals and antiprotozoals.

Antibiotics specifically treat infections caused by bacteria, most commonly used types of antibiotics are: Aminoglycosides, Penicillins, Fluoroquinolones, Cephalosporins, Macrolides, and Tetracyclines. New other approaches such as photodynamic therapy (PDT) and antibacterial peptides have been considered as alternatives to kill bacteria.

The high rates of morbidity and mortality caused by fungal infections are associated with the current limited antifungal arsenal and the high toxicity of the compounds. The most common antifungal targets include fungal RNA synthesis and cell wall and membrane components, though new antifungal targets are being investigated.

Viral infections occur when viruses enter cells in the body and begin reproducing, often causing illness. Viruses are classified as DNA viruses or RNA viruses, RNA viruses include retroviruses, such as HIV, are prone to mutate. The currently available antiviral drugs target 4 main groups of viruses: herpes, hepatitis, HIV and influenza viruses. Drug resistance in the clinical utility of antiviral drugs has raised an urgent need for developing new antiviral drugs.

Antiprotozoal drugs are medicines that treat infections caused by protozoa. Of which, malaria remains a major world health problem following the emergence and spread of Plasmodium falciparum that is resistant to the majority of antimalarial drugs. At present, antimalarial discovery approaches have been studied, such as the discovery of antimalarials from natural sources, chemical modifications of existing antimalarials, the development of hybrid compounds, testing of commercially available drugs that have been approved for human use for other diseases and molecular modelling using virtual screening technology and docking.

References:
[1] Scorzoni L, et al. Front Microbiol. 2017 Jan 23;8:36.
[2] Dehghan Esmatabadi MJ, et al. Cell Mol Biol (Noisy-le-grand). 2017 Feb 28;63(2):40-48.
[3] Raymund R, et al. Mayo Clin Proc. 2011 Oct; 86(10):1009-1026.
[4] Aguiar AC, et al. Mem Inst Oswaldo Cruz. 2012 Nov;107(7):831-45.


Anti-infection >
Arenavirus Bacterial CMV Enterovirus Filovirus Fungal HBV HCV HIV HSV Influenza Virus Parasite Reverse Transcriptase RSV SARS-CoV
Antibody-drug Conjugate >
ADC Cytotoxin ADC Linker Drug-Linker Conjugates for ADC PROTAC-linker Conjugate for PAC
Apoptosis >
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Autophagy >
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Antifolate APC ATM/ATR Aurora Kinase Casein Kinase CDK Checkpoint Kinase (Chk) CRISPR/Cas9 Deubiquitinase DNA Alkylator/Crosslinker DNA-PK DNA/RNA Synthesis Eukaryotic Initiation Factor (eIF) G-quadruplex Haspin Kinase HDAC HSP IRE1 Kinesin LIM Kinase (LIMK) Microtubule/Tubulin Mps1 Nucleoside Antimetabolite/Analog p97 PAK PARP PERK Polo-like Kinase (PLK) PPAR RAD51 ROCK Sirtuin SRPK Telomerase TOPK Topoisomerase Wee1
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Metabolic Enzyme/Protease >
15-PGDH 5 alpha Reductase 5-Lipoxygenase Acetyl-CoA Carboxylase Acyltransferase Adenosine Deaminase Adenosine Kinase Aldehyde Dehydrogenase (ALDH) Aldose Reductase Aminopeptidase Angiotensin-converting Enzyme (ACE) ATGL ATP Citrate Lyase Carbonic Anhydrase Carboxypeptidase Cathepsin CETP COMT Cytochrome P450 Dipeptidyl Peptidase Dopamine β-hydroxylase E1/E2/E3 Enzyme Elastase Enolase FAAH FABP Factor Xa Farnesyl Transferase Fatty Acid Synthase (FAS) FXR Glucokinase GSNOR Gutathione S-transferase HCV Protease Hexokinase HIF/HIF Prolyl-Hydroxylase HIV Integrase HIV Protease HMG-CoA Reductase (HMGCR) HSP Indoleamine 2,3-Dioxygenase (IDO) Isocitrate Dehydrogenase (IDH) Lactate Dehydrogenase LXR MAGL Mineralocorticoid Receptor Mitochondrial Metabolism MMP Nampt NEDD8-activating Enzyme Neprilysin PAI-1 PDHK PGC-1α Phosphatase Phosphodiesterase (PDE) Phospholipase Procollagen C Proteinase Proteasome Pyruvate Kinase RAR/RXR Renin ROR Ser/Thr Protease SGK Stearoyl-CoA Desaturase (SCD) Thrombin Tryptophan Hydroxylase Tyrosinase Xanthine Oxidase
Neuronal Signaling >
5-HT Receptor AChE Adenosine Kinase Amyloid-β Beta-secretase CaMK CGRP Receptor COMT Dopamine Receptor Dopamine Transporter FAAH GABA Receptor GlyT iGluR Imidazoline Receptor mAChR Melatonin Receptor Monoamine Oxidase nAChR Neurokinin Receptor Opioid Receptor Serotonin Transporter γ-secretase
NF-κB >
NF-κB IKK Keap1-Nrf2 MALT1
PI3K/Akt/mTOR >
Akt AMPK ATM/ATR DNA-PK GSK-3 MELK mTOR PDK-1 PI3K PI4K PIKfyve PTEN
PROTAC >
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Protein Tyrosine Kinase/RTK >
Ack1 ALK Bcr-Abl BMX Kinase Btk c-Fms c-Kit c-Met/HGFR Discoidin Domain Receptor DYRK EGFR Ephrin Receptor FAK FGFR FLT3 IGF-1R Insulin Receptor IRAK Itk PDGFR PKA Pyk2 ROS Src Syk TAM Receptor Trk Receptor VEGFR
Stem Cell/Wnt >
Casein Kinase ERK Gli GSK-3 Hedgehog Hippo (MST) JAK Notch Oct3/4 PKA Porcupine ROCK sFRP-1 Smo STAT TGF-beta/Smad Wnt YAP β-catenin γ-secretase
TGF-beta/Smad >
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Vitamin D Related >
VD/VDR
Others >
Androgen Receptor Aromatase Estrogen Receptor/ERR Progesterone Receptor Thyroid Hormone Receptor Others

PqsR/LasR-IN-1

PqsR/LasR-IN-1 (Compound 2a) is a potent inhibitor of PqsR and LasR systems in P. aeruginosa. PqsR/LasR-IN-1 also inhibits hERG with the IC50 of 6.77 µM[1].

  • CAS Number: 924818-33-7
  • MF: C24H20ClNO3
  • MW: 405.87
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

kapurimycin A3

Kapurimycin A3 is an antitumor and antibacterial antibiotic. Kapurimycin A3 has DNA binding and breakage activity. Kapurimycin A3 can be isolated from Streptomyces[1][2].

  • CAS Number: 129966-45-6
  • MF: C27H24O9
  • MW: 492.47400
  • Catalog: Bacterial
  • Density: 1.49g/cm3
  • Boiling Point: 736.5ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 250.4ºC

Calcium trinatrium diethylenetriaminepentaacetic acid hydrate

Calcium trinatrium diethylenetriaminepentaacetic acid hydrate (Ca-DTPA trisodium salt hydrate) is a metal chelator and a useful antidote (such as acute cadmium intoxication). Diethylenetriaminepentaacetic acid calcium trisodium salt hydrate is a nontoxic inhibitor of CMV replication[1][2].

  • CAS Number: 207226-35-5
  • MF: C14H20CaN3Na3O11
  • MW: 515.36900
  • Catalog: CMV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SARS-CoV-2 3CLpro-IN-20

SARS-CoV-2 3CLpro-IN-20 (Compound 5g) is a covalent SARS-CoV-2 3CLpro inhibitor (IC50s: 0.43 μM, Ki: ?0.33?μM)[1].

  • CAS Number: 878985-00-3
  • MF: C19H12BrNO2
  • MW: 366.21
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

pVXc-​486

pVXc-486 is an orally active and potent phosphate prodrug of VXc-486. pVXc-486 has potent bactericidal activities in vivo[1].

  • CAS Number: 1384984-20-6
  • MF: C21H24FN6Na2O6P
  • MW: 552.40
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Alunacedase alfa

Alunacedase alfa (HrsACE2; GSK 2586881) is a human recombinant soluble angiotensin-converting enzyme-2 (hrsACE2). Alunacedase alfa is a genetically modified soluble form of ACE2, it decreases cell entry of SARS-CoV-2 competing for membrane-bound ACE2. Alunacedase alfa has the potential for the research of SARS-CoV-2[1][2].

  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ceftezole sodium

Ceftezole sodium (CTZ sodium) is a broad-spectrum cephem antibiotic against many species of gram-positive and gram-negative bacteria. Ceftezole sodium (CTZ sodium) is an alpha-glucosidase inhibitor with in vivo anti-diabetic activity[1][2].

  • CAS Number: 41136-22-5
  • MF: C13H12N8NaO4S3+
  • MW: 462.462
  • Catalog: Bacterial
  • Density: 2.09 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tricin

Tricin is a natural flavonoid present in large amounts in rice bran. Tricin can inhibit human cytomegalovirus (HCMV) replication by inhibiting CDK9. Tricin inhibits the proliferation and invasion of C6 glioma cells via the upregulation of focal-adhesion-finase (FAK)-targeting microRNA-7[1][2][3].

  • CAS Number: 520-32-1
  • MF: C17H14O7
  • MW: 330.289
  • Catalog: CMV
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 598.5±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 224.0±23.6 °C

Captan-d6

Captan-d6 is the deuterium labeled Captan[1]. Captan is a common agricultural fungicide used to control Botrytis, Fusarium, Fusicoccum, Pythium. Captan enhances denitrifying and total culturable bacteria[2].

  • CAS Number: 1330190-00-5
  • MF: C9H2D6Cl3NO2S
  • MW: 306.626
  • Catalog: Bacterial
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 314.2±52.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 143.8±30.7 °C

HBV-IN-13

HBV-IN-12 is a potent hepatitis B surface antigen (HBsAg) inhibitor. From patent WO2021204252A1, compound 1_B[1].

  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Pallidol

Pallidol is a potent and selective singlet oxygen quencher. Pallidol shows antioxidant and antifungal activities[1][2].

  • CAS Number: 1622292-61-8
  • MF: C28H22O6
  • MW: 454.47
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Garvicin KS, GakB

Garvicin KS, GakB is a peptide at sizes of 34 amino acids to form bacteriocin garvicin KS (GarKS), with other 2 peptides, GakA, and GakC. Garvicin KS, GakB inhibits fibroblast viability and proliferation. Garvicin KS, GakB with GakA, is a potent combination with good peptide stability, antimicrobial efficacy, and fibroblast viability/proliferation effects. Garvicin KS peptides inhibit MSSA with MIC values in the order GakB >GakC >GakA[1].

  • CAS Number: 2098351-25-6
  • MF: C145H247N39O37S
  • MW: 3160.82
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Furaltadone

Furaltadone, a nitrofuran drug, has the potential for the study in infections of chickens with salmonella enteritidis. Furaltadone is inhibitory and bactericidal in vitro for staphylococci [1][2].

  • CAS Number: 139-91-3
  • MF: C13H16N4O6
  • MW: 324.289
  • Catalog: Bacterial
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 461.4±55.0 °C at 760 mmHg
  • Melting Point: 206ºC (dec.)
  • Flash Point: 232.8±31.5 °C

Penciclovir

Penciclovir is reported to be potent against HSV types 1 and 2 with IC50 of 0.04-1.8 μg/mL and 0.06-4.4 μg/mL, respectively.

  • CAS Number: 39809-25-1
  • MF: C10H15N5O3
  • MW: 253.258
  • Catalog: HSV
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 636.7±65.0 °C at 760 mmHg
  • Melting Point: 275-277°C
  • Flash Point: 338.9±34.3 °C

ethyl 4-(4-hydroxy-3-methoxyphenyl)-2-mercapto-6-methyl-1,4-dihydropyrimidine-5-carboxylate

gp120-IN-1 (compound 4e) is a potent HIV-1 gp120 inhibitor with an IC50 of 2.2 µM and CC50 of 100.90 µM. gp120-IN-1 shows anti-HIV-1 activity. gp120-IN-1 shows cytotoxicity in a dose dependent manner in SUP-T1 cells. gp120-IN-1 shows inhibition of gp120-mediated virus enter into cells[1].

  • CAS Number: 5948-75-4
  • MF: C15H18N2O4S
  • MW: 322.38
  • Catalog: HIV
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 462.4±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 233.5±31.5 °C

Abietin

Coniferin (Laricin) is a glucoside of coniferyl alcohol. Coniferin inhibits fungal growth and melanization[1].

  • CAS Number: 531-29-3
  • MF: C16H22O8
  • MW: 342.341
  • Catalog: Fungal
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 625.4±55.0 °C at 760 mmHg
  • Melting Point: 186°C
  • Flash Point: 332.0±31.5 °C

adenoregulin

Adenoregulin (Dermaseptin b2) is an antimicrobial peptide antibiotic. Adenoregulin is active against Gram-negative and Gram-positive bacteria, yeast and fungi. Adenoregulin also enhances the binding of agonists to the A1 adenosine receptor[1].

  • CAS Number: 149260-68-4
  • MF: C142H242N40O42
  • MW:
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

GPS491

GPS491 (EC50 = 0.47 μM) suppresses expression of the HIV-1 structural protein Gag and alters HIV-1 RNA accumulation, decreasing the abundance of RNAs encoding the structural proteins while increasing levels of viral RNAs encoding the regulatory proteins.

  • CAS Number: 2655502-29-5
  • MF: C13H5F6N3OS2
  • MW: 397.32
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

halazone

Halazone is an atypical antimicrobial sulfonamide derivative and a carbonic anhydrase II inhibitor with a Kd value of 1.45 µM. Halazone protects sodium channels from inactivation. Halazone is widely used for disinfection of drinking water[1][2].

  • CAS Number: 80-13-7
  • MF: C7H5Cl2NO4S
  • MW: 270.09000
  • Catalog: Bacterial
  • Density: 1.717 g/cm3
  • Boiling Point: 437ºC at 760 mmHg
  • Melting Point: 213ºC
  • Flash Point: 218.1ºC

ramoplanin A2

Ramoplanin is a broad-spectrum lipoglycodepsipeptide antibiotic derived from the Actinoplanes spp with with activity against gram-positive bacteria[1][2].

  • CAS Number: 76168-82-6
  • MF: C106H170ClN21O30
  • MW: 2554.066
  • Catalog: Bacterial
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: >218 °C(dec.)
  • Flash Point: N/A

NSC 135048

Siccanin is a succinate dehydrogenase (SDH) inhibitor (IC50=0.9 μM) with species-selective activity. Siccanin also is a antibiotic against pathogenic fungi[1].

  • CAS Number: 22733-60-4
  • MF: C22H30O3
  • MW: 342.47
  • Catalog: Fungal
  • Density: 1.18g/cm3
  • Boiling Point: 427.8ºC at 760mmHg
  • Melting Point: 139-140°
  • Flash Point: 212.5ºC

HIV-1 inhibitor-50

HIV-1 inhibitor-50 是一种非核苷逆转录酶抑制剂 (NNRTI),靶向 HIV-1 逆转录酶 (RT) (IC50=50 nM)。HIV-1 inhibitor-50 具有显著的抗病毒活性,对 HIV-1 IIIB 及其突变株的 EC50 为 2.22-53.3 nM。

  • CAS Number: 2834087-69-1
  • MF: C24H18FN5O2
  • MW: 427.43
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2'-Deoxy-2'-fluorocytidine

2'-Deoxy-2'-fluorocytidine, an nucleoside analog, is a potent inhibitor of Crimean-Congo hemorrhagic fever virus (CCHFV) replication. 2′-deoxy-2′-fluorocytidine can act synergistically with T705 to increase the potency of both compounds antiviral effects on CCHFV replication[1].

  • CAS Number: 10212-20-1
  • MF: C9H12FN3O4
  • MW: 245.208
  • Catalog: Influenza Virus
  • Density: 1.8±0.1 g/cm3
  • Boiling Point: 500.1±60.0 °C at 760 mmHg
  • Melting Point: 167ºC
  • Flash Point: 256.2±32.9 °C

Ceratotoxin B

Ceratotoxins B is antibacterial peptide produced by the sexually mature females of Ceratitis capitata. Lytic and antibacterial activity [1].

  • CAS Number: 150671-05-9
  • MF: C135H235N35O32
  • MW:
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Daunosamnyl-daunorubicin

Daunosamnyl-daunorubicin is used as an antibody conjugate.

  • CAS Number: 28008-54-0
  • MF: C33H40N2O12
  • MW: 656.68
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Pinosylvin

Pinosylvin is a pre-infectious stilbenoid toxin isolated from the heartwood of Pinus spp, has anti-bacterial activities[1]. Pinosylvin is a resveratrol analogue, can induce cell apoptosis and autophapy in leukemia cells[2].

  • CAS Number: 22139-77-1
  • MF: C14H12O2
  • MW: 212.244
  • Catalog: Bacterial
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 397.6±17.0 °C at 760 mmHg
  • Melting Point: 155.5-156°
  • Flash Point: 194.9±15.5 °C

4'-O-Methylbroussochalcone B

4'-O-Methylbavachalcone is a chalcone isolated from Psoralea corylifolia, inhibits severe acute respiratory syndrome coronavirus (SARS-CoV) papain-like protease (PLpro) activity, with an IC50 of 10.1 μM[1].

  • CAS Number: 20784-60-5
  • MF: C21H22O4
  • MW: 338.397
  • Catalog: SARS-CoV
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 552.1±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 194.9±23.6 °C

Rupestonic acid

Rupestonic acid, a sesquiterpene from Artemisia rupestris L., can inhibit influenza virus[1].

  • CAS Number: 83161-56-2
  • MF: C15H20O3
  • MW: 248.31700
  • Catalog: Influenza Virus
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(-)-JNJ-A07

(-)-JNJ-A07 is a potent and selective DENV inhibitor with an EC50 value of 31 nM[1].

  • CAS Number: 2135640-92-3
  • MF: C28H26ClF3N2O6
  • MW: 578.96
  • Catalog: Influenza Virus
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Lup-20(29)-ene-3,28-diyl diacetate

Betulin diacetate, a natural diterpene, is an anti-AID agent and also possesses anti-cancer activity[1][2].

  • CAS Number: 1721-69-3
  • MF: C34H54O4
  • MW: 526.790
  • Catalog: HIV
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 548.1±23.0 °C at 760 mmHg
  • Melting Point: 221-223ºC
  • Flash Point: 258.0±21.0 °C