Basic information
- CAS
17722-12-2- Standard SMILES
N#CCC(=O)Nc1cccc(Cl)c1- InChIKey
JHGKLDZJAHYJIP-UHFFFAOYSA-N- Molecular formula
- C9H7ClN2O
- Average molar mass
- 194.62 g/mol
- Monoisotopic mass
- 194.02469052
Names & identifiers
- Preferred name
- N-(3-chlorophenyl)-2-cyanoacetamide
- IUPAC
- N-(3-chlorophenyl)-2-cyanoacetamide
- English name
- N-(3-CHLORO-PHENYL)-2-CYANO-ACETAMIDE
- Molecular formula
- C9H7ClN2O
- Molecular weight
- 194.62
Names & synonyms
N-(3-chlorophenyl)-2-cyanoacetamide17722-12-2DTXSID00350451RefChem:361307DTXCID90301518N-(3-Chloro-phenyl)-2-cyano-acetamideMFCD00828748Acetamide, N-(3-chlorophenyl)-2-cyano-2-Cyano-N-(3-chlorophenyl)-acetamideN-(3-chlorophenyl)-2-cyano-acetamideAcetamide,N-(3-chlorophenyl)-2-cyano-Maybridge1_001572
Show more names
SKL902RMA-4150N-(3-chlorophenyl)-2-cyano-ethanamide
orb3031166SCHEMBL8996041HMS545P10JHGKLDZJAHYJIP-UHFFFAOYSA-NN-(3-chlorophenyl) cyanoacetamideFr12810ALBB-008530SBB003599
Database identifiers
- CAS
17722-12-2- PubChem CID
- 679494
- DTXSID
DTXSID00350451
Properties
Computed structural properties
- XLogP
- 2.6
- 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
- Melting point
- 170 · 170-172 °C
- Boiling point
- 423.3 · 423.3±30.0 °C(Predicted)
- Density
- 1.348 · 1.348±0.06 g/cm3(Predicted)
- pka
- -1.29 · -1.29±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers10 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
烟台博运生物科技有限公司13793517650 13793517650 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
4 records
Compound notes
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