Pentachloronitrobenzene

Modify Date: 2026-07-01 22:05:11

Pentachloronitrobenzene Structure
Pentachloronitrobenzene structure
 Common Name Pentachloronitrobenzene
CAS Number 82-68-8 Molecular Weight 295.335
Density 1.8±0.1 g/cm3 Boiling Point 328.0±0.0 °C at 760 mmHg
Molecular Formula C6Cl5NO2 Melting Point 140-143 °C(lit.)
MSDS Chinese USA Flash Point 161.6±26.5 °C
Symbol GHS02 GHS06 GHS08 GHS09
GHS02, GHS06, GHS08, GHS09		 Signal Word Danger

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name pentachloronitrobenzene
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.8±0.1 g/cm3
Boiling Point 328.0±0.0 °C at 760 mmHg
Melting Point 140-143 °C(lit.)
Molecular Formula C6Cl5NO2
Molecular Weight 295.335
Flash Point 161.6±26.5 °C
Exact Mass 292.837158
PSA 45.82000
LogP 4.16
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.630
InChIKey LKPLKUMXSAEKID-UHFFFAOYSA-N
SMILES O=[N+]([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
Stability Stable. Incompatible with strong bases, strong oxidizing agents.
Water Solubility Insoluble

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DA6650000
CHEMICAL NAME :
Benzene, pentachloronitro-
CAS REGISTRY NUMBER :
82-68-8
BEILSTEIN REFERENCE NO. :
1914324
LAST UPDATED :
199712
DATA ITEMS CITED :
45
MOLECULAR FORMULA :
C6-Cl5-N-O2
MOLECULAR WEIGHT :
295.32
WISWESSER LINE NOTATION :
WNR BG CG DG EG FG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1400 mg/m3
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2 gm/m3
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
4500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
>2500 mg/kg
TOXIC EFFECTS :
Gastrointestinal - nausea or vomiting
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>4 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
11250 mg/kg/90D-C
TOXIC EFFECTS :
Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
13650 mg/kg/13W-I
TOXIC EFFECTS :
Liver - changes in liver weight
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
135 gm/kg/77W-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors Liver - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
5 gm/kg
SEX/DURATION :
female 7-16 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Specific Developmental Abnormalities - musculoskeletal system Reproductive - Effects on Embryo or Fetus - fetal death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1935 mg/kg
SEX/DURATION :
female 6-14 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - extra-embryonic structures (e.g., placenta, umbilical cord) Reproductive - Specific Developmental Abnormalities - eye/ear Reproductive - Specific Developmental Abnormalities - urogenital system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
4176 mg/kg
SEX/DURATION :
female 6-10 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
4176 mg/kg
SEX/DURATION :
female 6-14 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth)

MUTATION DATA

TYPE OF TEST :
Cytogenetic analysis
TEST SYSTEM :
Rodent - hamster Ovary
DOSE/DURATION :
7500 ug/L
REFERENCE :
EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 10(Suppl 10),1,1987 *** REVIEWS *** ACGIH TLV-Not classifiable as a human carcinogen DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 ACGIH TLV-TWA 0.5 mg/m3 DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 IARC Cancer Review:Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 5,211,1974 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 5,211,1974 IARC Cancer Review:Group 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987 TOXICOLOGY REVIEW RREVAH Residue Reviews. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1962- Volume(issue)/page/year: 56,107,1975 TOXICOLOGY REVIEW 85CVA2 "Oncology 1970, Proceedings of the Tenth International Cancer Congress," Chicago, Year Book Medical Pub., 1971 Volume(issue)/page/year: 5,250,1970 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M0806 No. of Facilities: 18 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 18 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M0806 No. of Facilities: 38 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 574 (estimated) No. of Female Employees: 77 (estimated)

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol GHS02 GHS06 GHS08 GHS09
GHS02, GHS06, GHS08, GHS09
Signal Word Danger
Hazard Statements H225-H301 + H311 + H331-H370-H411
Precautionary Statements P210-P260-P273-P280-P301 + P310-P311
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard Codes Xi:Irritant;N:Dangerousfortheenvironment;
Risk Phrases R43;R50/53
Safety Phrases S13-S24-S37-S60-S61-S45-S36/37
RIDADR UN 3077 9/PG 3
WGK Germany 2
RTECS DA6650000
Hazard Class 9.0
HS Code 2904909013

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2904909013
Summary 2904909013 1,2,3,4,5-pentachloro-6-nitrobenzene。supervision conditions:s(import or export registration certificate for pesticides)。VAT:17.0%。tax rebate rate:0.0%。MFN tarrif:5.5%。general tariff:30.0%

 Articles32

More Articles

This table lists relevant public references with title, journal and publication metadata for this compound.

Distribution and uptake pathways of organochlorine pesticides in greenhouse and conventional vegetables.

Sci. Total Environ. 505 , 1142-7, (2014)

The application of greenhouse vegetable cultivation has dramatically expanded worldwide during the last several decades. However, little information is available on the distribution and uptake of pest...

Fusarium verticillioides: evaluation of fumonisin production and effect of fungicides on in vitro inhibition of mycelial growth.

Mycopathologia 171 , 77-84, (2011)

The objectives of this study were to evaluate the fumonisin production by 16 F. verticillioides strains on corn cultures and the effect of quintozene and fludioxonil + metalaxyl-M fungicides on "in vi...

Effect of waxy (Low Amylose) on Fungal Infection of Sorghum Grain.

Phytopathology 105 , 786-96, (2015)

Loss of function mutations in waxy, encoding granule bound starch synthase (GBSS) that synthesizes amylose, results in starch granules containing mostly amylopectin. Low amylose grain with altered sta...

 PentachloronitrobenzeneBioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482
Name: p53 small molecule agonists, cell-based qHTS assay
Source: 824
External Id: P53344
Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS233
Total 299, Current Page 1 of 30
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 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

Folosan (VAN)
Brassicol
PCNB
Batrilex
2,3,4,5,6-pentachloronitrobenzene
terraclor
Benzene,pentachloronitro
EINECS 201-435-0
Quintozene
Terrachlor
Quintozen
MFCD00007065
Pentachloronitrobenzene
1,2,3,4,5-Pentachloro-6-nitrobenzene

 Pentachloronitrobenzene | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What are the upstream materials of pentachloronitrobenzene?
A: Related upstream materials(CAS) of pentachloronitrobenzene: 98-95-3;608-93-5;527-20-8;544-92-3;13665-49-1;118-74-1;110-91-8;781-15-7;16478-18-5.
Q: How is the water solubility of pentachloronitrobenzene?
A: Water solubility of pentachloronitrobenzene: Insoluble.
Q: What English synonyms does pentachloronitrobenzene have?
A: English synonyms of pentachloronitrobenzene: Folosan (VAN), Brassicol, PCNB, Batrilex, 2,3,4,5,6-pentachloronitrobenzene, terraclor, Benzene,pentachloronitro, EINECS 201-435-0, Quintozene, Terrachlor, Quintozen, MFCD00007065, Pentachloronitrobenzene, 1,2,3,4,5-Pentachloro-6-nitrobenzene.
Q: What are the downstream products of pentachloronitrobenzene?
A: Related downstream products(CAS) of pentachloronitrobenzene: 527-20-8;22876-48-8;20098-38-8;30332-27-5;87-86-5;634-66-2;133-49-3;319-87-9;16478-18-5;13074-96-9.
Q: What is the CAS number of pentachloronitrobenzene?
A: CAS number of pentachloronitrobenzene is 82-68-8.
Q: What is the InChIKey of pentachloronitrobenzene?
A: InChIKey of pentachloronitrobenzene is LKPLKUMXSAEKID-UHFFFAOYSA-N.
Q: What is the molecular formula of pentachloronitrobenzene?
A: Molecular formula of pentachloronitrobenzene is C6Cl5NO2.
Q: What is the boiling point of pentachloronitrobenzene?
A: Boiling point of pentachloronitrobenzene is 328.0±0.0 °C at 760 mmHg.
Q: What is the melting point of pentachloronitrobenzene?
A: Melting point of pentachloronitrobenzene is 140-143 °C(lit.).
Q: What is the safety information for pentachloronitrobenzene?
A: Safety information for pentachloronitrobenzene: S13-S24-S37-S60-S61-S45-S36/37.

 Pentachloronitrobenzenefactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
Henan Tianfu Chemical Co., Ltd.
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Chemsrc provides Pentachloronitrobenzene(CAS#:82-68-8) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of Pentachloronitrobenzene are included as well.>> amp version: Pentachloronitrobenzene

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