CAS 5599-71-3 3,6-Dichlorocarbazole (HCID 236487)

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Basic information

CAS: 5599-71-3
Standard SMILES: Clc1ccc2[nH]c3ccc(Cl)cc3c2c1
InChIKey: BIMDTNQPZWJKPL-UHFFFAOYSA-N
Molecular formula: C12H7Cl2N
Average molar mass: 236.101 g/mol
Monoisotopic mass: 234.99555458

Names & identifiers

Preferred name: 3,6-Dichlorocarbazole
IUPAC: 3,6-Dichloro-9H-carbazole
English name: 3,6-Dichlorocarbazole
Molecular formula: C12H7Cl2N
Molecular weight: 236.1

Names & synonyms

3,6-dichloro-9H-carbazoleNSC 390313,6-DichlorocarbazoleCarbazole, 3,6-dichloro-3,6-Dichlorocarbazole>9H-Carbazole, 3,6-dichloro-

Database identifiers

CAS: 5599-71-3
PubChem CID: 236487
DTXSID: DTXSID40284786
ChEMBL: CHEMBL5090876
EC Number: 679-764-8
Nikkaji: J81.060F

Properties

Physicochemical properties

Melting point: 207 · 207-208
Boiling point: 420 · 420.0±25.0 °C(Predicted)
Density: 1.476 · 1.476±0.06 g/cm3 (20 ºC 760 Torr)
storage temp.: 2 · 2-8°C, protect from light
solubility: soluble in Acetone
form: powder to crystal
pka: 15.52 · 15.52±0.30(Predicted)
color: White to Light yellow to Light orange
InChI: InChI=1S/C12H7Cl2N/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6,15H
InChIKey: BIMDTNQPZWJKPL-UHFFFAOYSA-N
SMILES: N1C2=C(C=C(Cl)C=C2)C2=C1C=CC(Cl)=C2
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
Hazard Note: Irritant
HS Code: 2933.99 · 2933.99.8290

Safety & regulation

Safety data

hs_code: 2933.99.8290
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Applications

Uses3,6-Dichloro-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.