1-(5-nitro-1H-indol-3-yl)ethan-1-one
Basic information
- CAS
4771-10-2- Standard SMILES
CC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12- InChIKey
MKWCZAGQLZTPIE-UHFFFAOYSA-N- Molecular formula
- C10H8N2O3
- Average molar mass
- 204.18 g/mol
- Monoisotopic mass
- 204.05349212
Names & identifiers
- Preferred name
- 1-(5-nitro-1H-indol-3-yl)ethan-1-one
- IUPAC
- 1-(5-nitro-1H-indol-3-yl)ethanone
- English name
- Ethanone,1-(5-nitro-1H-indol-3-yl)-
- Molecular formula
- C10H8N2O3
- Molecular weight
- 204.18
Names & synonyms
1-(5-nitro-1H-indol-3-yl)ethan-1-oneRefChem:426593993-898-74771-10-21-(5-nitro-1H-indol-3-yl)ethanone3-Acetyl-5-nitroindole3-Acetyl-5-nitro-1H-indoleINDOLE, 3-ACETYL-5-NITRO-NSC60432NSC 60432BRN 1533870SCHEMBL5213756
Show more names
Ethanone,1-(5-nitro-1H-indol-3-yl)-
DTXSID10197258MKWCZAGQLZTPIE-UHFFFAOYSA-NNSC-60432AKOS008126044CS-0251081EN300-534955-21-08-00301 (Beilstein Handbook Reference)Z382706814
Database identifiers
- CAS
4771-10-2- PubChem CID
- 20900
- DTXSID
DTXSID10197258- EC Number
- 993-898-7
- Nikkaji
- J1.041.395H
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 78.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 287
Physicochemical properties
- Melting point
- 295 · 295-297 °C
- Boiling point
- 429.1 · 429.1±25.0 °C(Predicted)
- Density
- 1.405 · 1.405±0.06 g/cm3(Predicted)
- pka
- 13.62 · 13.62±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
- P280-P305+P351+P338
Related reactions
4 records
Compound notes
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