Basic information
- CAS
404-25-1- Standard SMILES
O=C(Nc1ccc(Cl)cc1)C(F)(F)F- InChIKey
PEFCIPXJRCETGI-UHFFFAOYSA-N- Molecular formula
- C8H5ClF3NO
- Average molar mass
- 223.58 g/mol
- Monoisotopic mass
- 223.001176
Names & identifiers
- Preferred name
- N-(4-Chlorophenyl)-2,2,2-trifluoroacetamide
- IUPAC
- N-(4-chlorophenyl)-2,2,2-trifluoroacetamide
- English name
- AcetaMide, N-(4-chlorophenyl)-2,2,2-trifluoro-
- Molecular formula
- C8H5ClF3NO
- Molecular weight
- 223.58
Names & synonyms
N-(4-chlorophenyl)-2,2,2-trifluoroacetamide404-25-1ACETANILIDE, 4'-CHLORO-2,2,2-TRIFLUORO-DTXSID90193399RefChem:1091265DTXCID50115890Acetamide, N-(4-chlorophenyl)-2,2,2-trifluoro-MFCD00519715NSC 541294'-Chloro-2,2,2-trifluoroacetanilideBRN 2107044NSC54129
Show more names
SCHEMBL5550330HMS1787G04NSC-54129N-(4-chlorophenyl)-trifluoroacetamideAKOS00103351911K-343SCS-0294154ST50187782
Database identifiers
- CAS
404-25-1- PubChem CID
- 9830
- DTXSID
DTXSID90193399- Nikkaji
- J418.636B
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Melting point
- 123 · 123-124.5 °C
- Boiling point
- 276.4 · 276.4±40.0 °C(Predicted)
- Density
- 1.482 · 1.482±0.06 g/cm3(Predicted)
- pka
- 9.18 · 9.18±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers9 total
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安徽合诺生物科技有限公司18455579438
南京代盟化工有限公司02566880956 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
3 records
Compound notes
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