3-Chlorocarbazole

HCID 520302CAS 2732-25-4

Substructure search Find similar structures

Basic information

Standard SMILES: Clc1ccc2[nH]c3ccccc3c2c1
InChIKey: CABSFELLEWZIAK-UHFFFAOYSA-N
Molecular formula: C12H8ClN
Average molar mass: 201.65 g/mol
Monoisotopic mass: 201.034527

Names & identifiers

Preferred name: 3-Chlorocarbazole
IUPAC: 3-chloro-9H-carbazole
English name: 3-chlorocarbazole
Molecular formula: C12H8ClN
Molecular weight: 201.65

Names & synonyms

3-Chloro-9H-carbazole3-Chlorocarbazole2732-25-49H-Carbazole, 3-chloro-DTXSID40181766W7F0832476RefChem:93509DTXCID80104257962-376-0Carbazole, 3-chloro-MFCD00222620SCHEMBL607394

Show more names

Carbazole,3-chloro- (6CI,7CI,8CI)

BS-52267CS-0328159EU-0000141E85398Q27292436Carprofen EP Impurity EUNII-W7F0832476AMY42416

Database identifiers

CAS: 2732-25-4
PubChem CID: 520302
DTXSID: DTXSID40181766
ChEMBL: CHEMBL447289
UNII: W7F0832476
EC Number: 962-376-0
Nikkaji: J848.320E

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 15.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 218

Physicochemical properties

storage temp.: 2 · Storage temp. 2-8°C
Appearance: White to off-white Solid
InChI: InChI=1S/C12H8ClN/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7,14H
InChIKey: CABSFELLEWZIAK-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC=C2)C2=C1C=CC(Cl)=C2
FDA UNII: 7 F0832476 · W7F0832476
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H413 (50%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)；Skin Irrit. 2 (50%)；Eye Irrit. 2 (50%)；Aquatic Chronic 4 (50%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362

Chemistry & industry

Applications

Uses3-Chloro-9H-carbazole is a standard for environmental testing and research. An aryl hydrocarbon receptor agonist. Substance for the characterization and biological potency of mono- to tetra-halogenated carbazoles.