Basic information
- CAS
62995-73-7- Standard SMILES
Cc1ccccc1C(=O)NC#N- InChIKey
OARPGCYYKTZRCW-UHFFFAOYSA-N- Molecular formula
- C9H8N2O
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.06366288
Names & identifiers
- Preferred name
- N-cyano-2-methylbenzamide
- IUPAC
- N-cyano-2-methylbenzamide
- English name
- Benzamide, N-cyano-2-methyl- (9CI)
- Molecular formula
- C9H8N2O
- Molecular weight
- 160.17
Names & synonyms
N-cyano-2-methylbenzamide62995-73-7HMS1536M12TimTec1_000980SCHEMBL3787010SCHEMBL11654047DTXSID20351809AKOS017517063ST010583N-(???methyl)(2-methylphenyl)carboxamideBenzamide, N-cyano-2-methyl-Benzamide, N-cyano-2-methyl- (9CI)
Database identifiers
- CAS
62995-73-7- PubChem CID
- 710552
- DTXSID
DTXSID20351809- EC Number
- 119-103-8
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Density
- 1.148 · 1.148±0.06 g/cm3(Predicted)
- pka
- 6.48 · 6.48±0.46(Predicted)
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P321, P330, P362+P364, 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%)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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