1-(1H-indol-7-yl)ethanone

HCID 13770534

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Basic information

CAS: 104019-20-7
Standard SMILES: CC(=O)c1cccc2cc[nH]c12
InChIKey: BJFCCDMOVSQLQF-UHFFFAOYSA-N
Molecular formula: C10H9NO
Average molar mass: 159.18 g/mol
Monoisotopic mass: 159.06841391

Names & identifiers

Preferred name: 1-(1H-indol-7-yl)ethanone
IUPAC: 1-(1H-indol-7-yl)ethanone
English name: Ethanone, 1-(1H-indol-7-yl)- (9CI)
Molecular formula: C10H9NO
Molecular weight: 159.18

Names & synonyms

1-(1H-indol-7-yl)ethanone104019-20-71-(1H-Indol-7-yl)ethan-1-oneEthanone, 1-(1H-indol-7-yl)-MFCD129241197-Acetyl-1H-indoleEthanone, 1-(1H-indol-7-yl)- (9CI)7-acetylindoleethanone,1-(1h-indol-7-yl)-SCHEMBL37908851-(1H-Indol-7-yl)-ethanoneSCHEMBL30690400

Show more names

1-(1h-Indol-7-yl)ethan-1-one - [K92477]

DTXSID00548957BJFCCDMOVSQLQF-UHFFFAOYSA-NEEA01920ZB0343AKOS016344434AB90168AS-30590SY065732

Database identifiers

CAS: 104019-20-7
PubChem CID: 13770534
DTXSID: DTXSID00548957
EC Number: 802-466-8

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 32.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 190

Physicochemical properties

Melting point: 65 · 65-66 °C(Solv: hexane (110-54-3))
Boiling point: 155 °C · 155 °C(Press: 2 Torr)
Density: 1.193 · 1.193±0.06 g/cm3(Predicted)
storage temp.: Store at Room Tem.
pka: 15.38 · 15.38±0.30(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
HS Code: 2933998090 · 2933998090

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)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Safety data

hs_code: 2933998090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H312-H332
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501