6-Chloro-2,3,4,9-tetrahydro-1H-carbazol-1-one

HCID 612977

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Basic information

CAS: 14192-67-7
Standard SMILES: O=C1CCCc2c1[nH]c1ccc(Cl)cc21
InChIKey: PUQOGOYIOUCDPE-UHFFFAOYSA-N
Molecular formula: C12H10ClNO
Average molar mass: 219.66 g/mol
Monoisotopic mass: 219.04509162

Names & identifiers

Preferred name: 6-Chloro-2,3,4,9-tetrahydro-1H-carbazol-1-one
IUPAC: 6-chloro-2,3,4,9-tetrahydrocarbazol-1-one
English name: 6-Chloro-2,3,4,9-tetrahydro-1H-carbazol-1-one
Molecular formula: C12H10ClNO
Molecular weight: 219.67

Names & synonyms

6-Chloro-2,3,4,9-tetrahydro-1H-carbazol-1-one14192-67-7DTXSID80346519RefChem:541447DTXCID20297591821-408-2MFCD004590426-chloro-2,3,4,9-tetrahydrocarbazol-1-one1H-Carbazol-1-one, 6-chloro-2,3,4,9-tetrahydro-6-chloro-2,3,4,9-tetrahydro-4aH-carbazol-1-oneCBMicro_0077576-Chloro-2,3,4,9-tetrahydro-carbazol-1-one

Show more names

TIMTEC-BB SBB014433CHEMBRDG-BB 60431536-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-one(SALTDATA: FREE)

Oprea1_365572Oprea1_632762MLS000122313SCHEMBL4022842CHEMBL1605919HMS2386J14PAA19267SMSF0012001

Database identifiers

CAS: 14192-67-7
PubChem CID: 612977
DTXSID: DTXSID80346519
ChEMBL: CHEMBL1605919
EC Number: 821-408-2
Nikkaji: J1.058.386A

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 32.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 281

Physicochemical properties

Melting point: 218 · 218-219 °C
Boiling point: 417.7 · 417.7±40.0 °C(Predicted)
Density: 1.397 · 1.397±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 14.22 · 14.22±0.20(Predicted)
Appearance: Light brown to brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501