N-(2-chlorophenyl)-2-cyanoacetamide
Basic information
- CAS
50982-66-6- Standard SMILES
N#CCC(=O)Nc1ccccc1Cl- InChIKey
QNLTWNKEBOCLPE-UHFFFAOYSA-N- Molecular formula
- C9H7ClN2O
- Average molar mass
- 194.62 g/mol
- Monoisotopic mass
- 194.0246905
Names & identifiers
- Preferred name
- N-(2-chlorophenyl)-2-cyanoacetamide
- IUPAC
- N-(2-chlorophenyl)-2-cyanoacetamide
- English name
- N-(2-Chloro-phenyl)-2-cyano-acetamide
- Molecular formula
- C9H7ClN2O
- Molecular weight
- 194.62
Names & synonyms
N-(2-chlorophenyl)-2-cyanoacetamide50982-66-6DTXSID50351170RefChem:360615DTXCID40302237n-(2-chloro-phenyl)-2-cyano-acetamideMFCD004636302-Cyano-N-(2-chlorophenyl)-acetamideN-(2-chlorophenyl)-2-cyano-acetamide2'-chloro-2-cyanoacetanilideSCHEMBL4089368QNLTWNKEBOCLPE-UHFFFAOYSA-N
Show more names
SKL901N-(2-chlorophenyl)-2-cyano-ethanamide
ALBB-008531SBB015485STK202126AKOS000115272Acetamide, N-(2-chlorophenyl)-2-cyano-LS-02934CS-0117407ST45153860
Database identifiers
- CAS
50982-66-6- PubChem CID
- 693035
- DTXSID
DTXSID50351170- EC Number
- 159-286-1
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- HazardClass
- IRRITANT
- HS Code
- 2926907090 · 2926907090
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, P270, P301+P317, P330, 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
- hs_code
- 2926907090
- hazard_class
- IRRITANT
Chemistry & industry
Applications
UsesN-(2-Chlorophenyl)-2-cyanoacetamide
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
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