Basic information
- CAS
32097-42-0- Standard SMILES
Cn1c([N+](=O)[O-])cnc1CC(O)c1ccccc1- InChIKey
XEJAYLYHPVQENE-UHFFFAOYSA-N- Molecular formula
- C12H13N3O3
- Average molar mass
- 247.25 g/mol
- Monoisotopic mass
- 247.09569129
Names & identifiers
- Preferred name
- 2-(1-Methyl-5-nitro-2-imidazolyl)-1-phenyl-1-ethanol
- IUPAC
- 2-(1-methyl-5-nitroimidazol-2-yl)-1-phenylethanol
- English name
- 1H-Imidazole-2-ethanol,1-methyl-5-nitro-a-phenyl-
- Molecular formula
- C12H13N3O3
- Molecular weight
- 247.25
Names & synonyms
2-(1-METHYL-5-NITRO-2-IMIDAZOLYL)-1-PHENYL-1-ETHANOLRefChem:451122659-686-02-(1-methyl-5-nitroimidazol-2-yl)-1-phenylethanol32097-42-0NSC302659DTXSID00316370AKOS024325039NSC-3026592-(1-Methyl-5-nitro-1H-imidazol-2-yl)-1-phenylethan-1-ol1H-Imidazole-2-ethanol,1-methyl-5-nitro-a-phenyl-1H-Imidazole-2-ethanol, 1-methyl-5-nitro-α-phenyl-
Database identifiers
- CAS
32097-42-0- PubChem CID
- 327487
- DTXSID
DTXSID00316370- EC Number
- 659-686-0
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302-H335-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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)
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
- H315-H302-H335-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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