Basic information
- CAS
10016-06-5- Standard SMILES
CN(C(=O)CF)c1ccc(F)cc1- InChIKey
XMXCIFYSKOQCLE-UHFFFAOYSA-N- Molecular formula
- C9H9F2NO
- Average molar mass
- 185.17 g/mol
- Monoisotopic mass
- 185.06522023
Names & identifiers
- Preferred name
- Acetanilide, 2,4'-difluoro-N-methyl-
- IUPAC
- 2-fluoro-N-(4-fluorophenyl)-N-methylacetamide
- English name
- 2',4'-Difluoro-N-methylacetanilide
- Molecular formula
- C9H9F2NO
- Molecular weight
- 185.17
Names & synonyms
10016-06-5ACETANILIDE, 2,4'-DIFLUORO-N-METHYL-2,4'-Difluoro-N-methylacetanilideBRN 2102024DTXSID50142984RefChem:315706DTXCID10654752-fluoro-N-(4-fluorophenyl)-N-methylacetamide2,4-DIFLUORO-N-METHYLACETANILIDE2',4'-Difluoro-N-methylacetanilideAcetamide, 2-fluoro-N-(4-fluorophenyl)-N-methyl-
Database identifiers
- CAS
10016-06-5- PubChem CID
- 24787
- DTXSID
DTXSID50142984- Nikkaji
- J79.145H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Melting point
- 89 · 89-91
- Boiling point
- 97 · 97-98 °C(Press: 0.25 Torr)
- Density
- 1.228 · 1.228±0.06 g/cm3(Predicted)
- pka
- 0.41 · 0.41±0.50(Predicted)
- Hazard Codes
- Xi
- Safety Statements
- 24 · 24/25
- Hazard Note
- Irritant
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
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 24/25
Chemistry & industry
Suppliers1 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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