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

HCID 285865

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Basic information

CAS: 3456-99-3
Standard SMILES: O=C1CCCc2c1[nH]c1ccccc21
InChIKey: PDZIFGIQUYFQGK-UHFFFAOYSA-N
Molecular formula: C12H11NO
Average molar mass: 185.22 g/mol
Monoisotopic mass: 185.08406397

Names & identifiers

Preferred name: 2,3,4,9-tetrahydro-1H-carbazol-1-one
IUPAC: 2,3,4,9-tetrahydrocarbazol-1-one
English name: 2,3,4,9-Tetrahydro-1H-carbazol-1-one
Molecular formula: C12H11NO
Molecular weight: 185.22

Names & synonyms

2,3,4,9-tetrahydro-1H-carbazol-1-one2,3,4,9-Tetrahydro-carbazol-1-oneDTXSID60301444RefChem:441713DTXCID10252578694-656-0822-788-23456-99-32,3,4,9-tetrahydrocarbazol-1-oneMFCD002200671H-Carbazol-1-one, 2,3,4,9-tetrahydro-3,4-dihydro-2H-carbazol-1(9H)-one

Show more names

AKOS BC-0293RARECHEM AK MA K0503,4-DIHYDROCARBAZOL-1(2H)-ONE1,2,3,4-TETRAHYDROCARBAZOLE-1-ONE1-oxo-2,3,4,9-tetrahydrocarbazole2,3,4,9-tetrahydrocarbazol-1-one - [T86535]

MLS000035697NSC143499SMR0000143782,3,4,9-tetrahydro-4aH-carbazol-1-oneSCHEMBL969821cid_285865SCHEMBL4021839CHEMBL1529210

Database identifiers

CAS: 3456-99-3
PubChem CID: 285865
DTXSID: DTXSID60301444
ChEMBL: CHEMBL1529210
EC Number: 822-788-2
Nikkaji: J3.251.568A、J617.142G

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 32.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 251

Physicochemical properties

Melting point: 164 · 164-165
Boiling point: 386.3 · 386.3±11.0 °C(Predicted)
Density: 1.275 · 1.275±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 15.13 · 15.13±0.20(Predicted)
Appearance: Off-white to light yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 280 · P280-P305+P351+P338-P310
HazardClass: IRRITANT
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.