CAS 33632-27-8 Ethanone, 1-(2,3-dihydro-5-nitro-1H-indol-1-yl)- (HCID 36566)

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Basic information

CAS: 33632-27-8
Standard SMILES: CC(=O)N1CCc2cc([N+](=O)[O-])ccc21
InChIKey: OJKKTNFCWMBYMT-UHFFFAOYSA-N
Molecular formula: C10H10N2O3
Average molar mass: 206.2 g/mol
Monoisotopic mass: 206.06914218

Names & identifiers

Preferred name: Ethanone, 1-(2,3-dihydro-5-nitro-1H-indol-1-yl)-
IUPAC: 1-(5-nitro-2,3-dihydroindol-1-yl)ethanone
English name: 1-ACETYL-5-NITROINDOLINE
Molecular formula: C10H10N2O3
Molecular weight: 206.2

Names & synonyms

1-Acetyl-5-nitroindoline33632-27-8INDOLINE, 1-ACETYL-5-NITRO-CCRIS 6767EINECS 251-609-5NSC 87626BRN 0217294Ethanone, 1-(2,3-dihydro-5-nitro-1H-indol-1-yl)-RefChem:592426251-609-51-(5-Nitroindolin-1-yl)ethanone1-(5-nitro-2,3-dihydro-1H-indol-1-yl)ethan-1-one

Show more names

Acetylnitroindolinetech1-acetyl-5-nitro-indolin1-Acetoxy-5-Nitroindoline1-Acetyl-5-nitroindoline,98%1-Acetyl-5-nitroindoline ,97%1-(5-nitro-1-indolinyl)ethanone1-Acetyl-5-nitroindoline, tech.

1-(5-nitro-2,3-dihydroindol-1-yl)ethanone1H-Indole, 1-acetyl-2,3-dihydro-5-nitro-MFCD000058111-(5-Nitroindolin-1-yl)ethan-1-oneMLS002694770NSC87626A1CBI5-nitro-N-acetylindoline

Database identifiers

CAS: 33632-27-8
PubChem CID: 36566
DTXSID: DTXSID3067780
ChEMBL

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 66.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 287

Physicochemical properties

Melting point: 175 · 175-176 °C(lit.)
Boiling point: 345.04 °C · 345.04°C (rough estimate)
Density: 1.2815 · 1.2815 (rough estimate)
refractive index: 1.63 · 1.6300 (estimate)
storage temp.: Refrigerator (+4°C)
pka: -3.28 · -3.28±0.20(Predicted)
CAS DataBase Reference: 33632 · 33632-27-8(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
EPA Substance Registry System: 1 H-Indole, · 1H-Indole, 1-acetyl-2,3-dihydro-5-nitro- (33632-27-8)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Risk Statements: 36 · 36/37/38
Safety Statements