3-Ethyl-2-methyl-5-nitroindole
Basic information
- CAS
60676-78-0- Standard SMILES
CCc1c(C)[nH]c2ccc([N+](=O)[O-])cc12- InChIKey
QMERMWACWLHWSF-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.08987763
Names & identifiers
- Preferred name
- 3-Ethyl-2-methyl-5-nitroindole
- IUPAC
- 3-ethyl-2-methyl-5-nitro-1H-indole
- English name
- 3-Ethyl-2-methyl-5-nitroindole
- Molecular formula
- C11H12N2O2
- Molecular weight
- 204.23
Names & synonyms
3-ETHYL-2-METHYL-5-NITROINDOLERefChem:501329668-658-73-ethyl-2-methyl-5-nitro-1h-indole60676-78-01H-Indole, 3-ethyl-2-methyl-5-nitro-NSC28926Maybridge1_006238Oprea1_247831SCHEMBL94006462-methyl-3-ethyl-5-nitroindoleHMS559D12
Show more names
DTXSID00282945NSC-28926AKOS024324272CCG-237156
Database identifiers
- CAS
60676-78-0- PubChem CID
- 231964
- DTXSID
DTXSID00282945- EC Number
- 668-658-7
- Nikkaji
- J861.405I
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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