Basic information
- CAS
1735-88-2- Standard SMILES
N#CCC(=O)Nc1ccc(F)cc1- InChIKey
GZWVZXOFWQGSRB-UHFFFAOYSA-N- Molecular formula
- C9H7FN2O
- Average molar mass
- 178.16 g/mol
- Monoisotopic mass
- 178.05424106
Names & identifiers
- Preferred name
- 2-Cyano-N-(4-fluorophenyl)acetamide
- IUPAC
- 2-cyano-N-(4-fluorophenyl)acetamide
- English name
- 2-CYANO-N-(4-FLUORO-PHENYL)-ACETAMIDE
- Molecular formula
- C9H7FN2O
- Molecular weight
- 178.16
Names & synonyms
2-cyano-N-(4-fluorophenyl)acetamide1735-88-2DTXSID00351185RefChem:259665DTXCID403022522-Cyano-4'-fluoroacetanilideAcetamide, 2-cyano-N-(4-fluorophenyl)-2-Cyano-N-(4-fluoro-phenyl)-acetamideMFCD002761102-Cyano-4 inverted exclamation mark -fluoroacetanilideMaybridge1_0012372-Cyano-4`-fluoroacetanilide
Show more names
2-cyano-N-(4-fluorophenyl)ethanamide
SCHEMBL1260228SKL890CHEMBL3334613HMS545A05n-(4-fluorophenyl)cyanoacetamideGZWVZXOFWQGSRB-UHFFFAOYSA-NALBB-008600SBB015794
Database identifiers
- CAS
1735-88-2- PubChem CID
- 693148
- DTXSID
DTXSID00351185- ChEMBL
CHEMBL3334613
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Melting point
- 158 · 158-160 °C(Solv: methanol (67-56-1))
- Boiling point
- 396.8 · 396.8±27.0 °C(Predicted)
- Density
- 1.304 · 1.304±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- -1.1 · -1.10±0.10(Predicted)
- Appearance
- Colorless to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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.
Safety data
- hs_code
- 2926907090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers40 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Wuhan Konberd Biotech Co., Ltd+undefined-18986093962 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
Related reactions
4 records
Compound notes
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