2-(4-Chlorophenyl)-1H-indole

HCID 220463

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Basic information

CAS: 1211-35-4
Standard SMILES: Clc1ccc(-c2cc3ccccc3[nH]2)cc1
InChIKey: KDNXKQSAAZNUCK-UHFFFAOYSA-N
Molecular formula: C14H10ClN
Average molar mass: 227.69 g/mol
Monoisotopic mass: 227.050177

Names & identifiers

Preferred name: 2-(4-Chlorophenyl)-1H-indole
IUPAC: 2-(4-chlorophenyl)-1H-indole
English name: 2-(4-Chlorophenyl)indole
Molecular formula: C14H10ClN
Molecular weight: 227.69

Names & synonyms

2-(4-Chlorophenyl)-1H-indole2-(4-Chlorophenyl)indoleIndole, 2-(4-chlorophenyl)-DTXSID60277635RefChem:84375DTXCID10228793878-429-5KDNXKQSAAZNUCK-UHFFFAOYSA-N1211-35-4MFCD00047159MLS000325254SMR000163748

Show more names

2-P-CHLOROPHENYL INDOLE2-(4-Chlorophenyl)indole ,98%1H-Indole, 2-(4-chlorophenyl)-

NSC3276Maybridge1_0058602-(p-Chlorphenyl)-indol2-(4-chlorophenyl)-indole2-(4-chlorphenyl)-1H-indolecid_220463SCHEMBL3246467SCHEMBL4600217

Database identifiers

CAS: 1211-35-4
PubChem CID: 220463
DTXSID: DTXSID60277635
ChEMBL: CHEMBL1568555
EC Number: 878-429-5
Nikkaji: J693.481A

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 15.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 235

Physicochemical properties

Melting point: 203 °C · 203 °C
Boiling point: 417.8 · 417.8±20.0 °C(Predicted)
Density: 1.271 · 1.271±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: solid
pka: 16.29 · 16.29±0.30(Predicted)
InChI: 1S/C14H10ClN/c15-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-9,16H
InChIKey: KDNXKQSAAZNUCK-UHFFFAOYSA-N
SMILES: Clc1ccc(cc1)-c2cc3ccccc3[nH]2
CAS DataBase Reference: 1211 · 1211-35-4(CAS DataBase Reference)
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard Codes: Xi,Xn
Risk Statements: 20 · 20/21/22-36/37/38-22
Safety Statements: 26 · 26-37/39-36/37/39
WGK Germany: 3 · WGK 3
HS Code: 29339900 · 29339900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

wgk: WGK 3
hs_code: 29339900
risk_code: 20/21/22-36/37/38-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-37/39-36/37/39
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313