2-Phenylindole structure
|
Common Name | 2-Phenylindole | ||
|---|---|---|---|---|
| CAS Number | 948-65-2 | Molecular Weight | 193.244 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 419.9±0.0 °C at 760 mmHg | |
| Molecular Formula | C14H11N | Melting Point | 188-190 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 176.6±11.9 °C | |
| Symbol |
GHS05, GHS07 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-Phenylindole |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 419.9±0.0 °C at 760 mmHg |
| Melting Point | 188-190 °C(lit.) |
| Molecular Formula | C14H11N |
| Molecular Weight | 193.244 |
| Flash Point | 176.6±11.9 °C |
| Exact Mass | 193.089142 |
| PSA | 15.79000 |
| LogP | 4.68 |
| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
| Index of Refraction | 1.679 |
| InChIKey | KLLLJCACIRKBDT-UHFFFAOYSA-N |
| SMILES | c1ccc(-c2cc3ccccc3[nH]2)cc1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS05, GHS07 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H315-H318-H335-H413 |
| Precautionary Statements | P261-P280-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R37/38;R41 |
| Safety Phrases | S26-S39 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | NM1272500 |
| HS Code | 2933990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 8 | |
|---|---|
| DownStream 10 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Melatonin-mediated Bim up-regulation and cyclooxygenase-2 (COX-2) down-regulation enhances tunicamycin-induced apoptosis in MDA-MB-231 cells.
J. Pineal Res. 58(3) , 310-20, (2015) Melatonin is involved in many physiological functions, and it has differential effects on apoptosis in normal and cancer cells. However, the mechanism of its antitumor roles is not well understood. In... |
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The Drosophila MAPK p38c regulates oxidative stress and lipid homeostasis in the intestine.
PLoS Genet. 10(9) , e1004659, (2014) The p38 mitogen-activated protein (MAP) kinase signaling cassette has been implicated in stress and immunity in evolutionarily diverse species. In response to a wide variety of physical, chemical and ... |
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Kuwanon V inhibits proliferation, promotes cell survival and increases neurogenesis of neural stem cells.
PLoS ONE 10(2) , e0118188, (2015) Neural stem cells (NSCs) have the ability to proliferate and differentiate into neurons and glia. Regulation of NSC fate by small molecules is important for the generation of a certain type of cell. T... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibition of NorA efflux pump in NorA knockout Staphylococcus aureus K1758 assessed ...
Source: ChEMBL
Target: Quinolone resistance protein NorA
External Id: CHEMBL996989
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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
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Name: Inhibition of NorA efflux pump in Staphylococcus aureus K2378 overexpressing NorA ass...
Source: ChEMBL
Target: Quinolone resistance protein NorA
External Id: CHEMBL996991
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Name: Inhibition of NorA efflux pump in wild type Staphylococcus aureus 8325-4 assessed as ...
Source: ChEMBL
Target: Quinolone resistance protein NorA
External Id: CHEMBL996990
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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
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Name: Antibacterial activity against Staphylococcus aureus K2378 overexpressing NorA after ...
Source: ChEMBL
Target: Staphylococcus aureus
External Id: CHEMBL996996
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Name: Antibacterial activity against Klebsiella pneumoniae MDR ATCC 70063 (CO-ADD:GN_003); ...
Source: ChEMBL
Target: Klebsiella pneumoniae
External Id: CHEMBL4296186
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Name: Inhibition of NorA efflux pump overexpressing Staphylococcus aureus 8325-4 K2378 asse...
Source: ChEMBL
Target: Quinolone resistance protein NorA
External Id: CHEMBL996993
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Name: Inhibition of NorA efflux pump in wild type Staphylococcus aureus 8325-4 assessed as ...
Source: ChEMBL
Target: Quinolone resistance protein NorA
External Id: CHEMBL996992
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Name: Antibacterial activity against wild type Staphylococcus aureus 8325-4 after 18 to 20 ...
Source: ChEMBL
Target: Staphylococcus aureus
External Id: CHEMBL996995
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| EINECS 213-436-3 |
| MFCD00005608 |
| 2-Phenyl-1H-indole |
| A-PHENYLINDOL |
| 2-phenyl-indol |
| a-Phenylindole |
| Indole,2-phenyl |
| 2-pPhenyl-1H-indole |
| 2-phenyl-1h-indol |
| 2-Phenylindole |
| Stabilizer I |
| 2-phenyl-indole |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 2-Phenylindole? |
| A: Polar surface area (PSA) of 2-Phenylindole is 15.79000. |
| Q: What is the CAS number of 2-Phenylindole? |
| A: CAS number of 2-Phenylindole is 948-65-2. |
| Q: What is the SMILES notation of 2-Phenylindole? |
| A: SMILES notation of 2-Phenylindole is c1ccc(-c2cc3ccccc3[nH]2)cc1. |
| Q: What are the upstream materials of 2-Phenylindole? |
| A: Related upstream materials(CAS) of 2-Phenylindole: 107734-06-5;21375-88-2;120-72-9;591-50-4;98-80-6;4714-25-4;615-43-0;536-74-3. |
| Q: What English synonyms does 2-Phenylindole have? |
| A: English synonyms of 2-Phenylindole: EINECS 213-436-3, MFCD00005608, 2-Phenyl-1H-indole, A-PHENYLINDOL, 2-phenyl-indol, a-Phenylindole, Indole,2-phenyl, 2-pPhenyl-1H-indole, 2-phenyl-1h-indol, 2-Phenylindole, Stabilizer I, 2-phenyl-indole. |
| Q: What are the downstream products of 2-Phenylindole? |
| A: Related downstream products(CAS) of 2-Phenylindole: 103056-99-1;3419-00-9;107622-43-5;22091-86-7;20878-31-3;19931-87-4;3558-24-5;3469-20-3;27005-52-3;579-66-8. |
| Q: What is the safety information for 2-Phenylindole? |
| A: Safety information for 2-Phenylindole: S26-S39. |
| Q: What is the molecular weight of 2-Phenylindole? |
| A: Molecular weight of 2-Phenylindole is 193.244. |
| Q: What is the InChIKey of 2-Phenylindole? |
| A: InChIKey of 2-Phenylindole is KLLLJCACIRKBDT-UHFFFAOYSA-N. |
| Q: What is the boiling point of 2-Phenylindole? |
| A: Boiling point of 2-Phenylindole is 419.9±0.0 °C at 760 mmHg. |
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. |
| Zhongshan Xingrui Chemical Co. , Ltd. |