Basic information
- CAS
1393558-32-1- Standard SMILES
COC(=O)C(F)(F)c1ccc(Cl)cc1- InChIKey
IVEJHYQFZLKTCM-UHFFFAOYSA-N- Molecular formula
- C9H7ClF2O2
- Average molar mass
- 220.6 g/mol
- Monoisotopic mass
- 220.0102635
Names & identifiers
- Preferred name
- Methyl (4-chlorophenyl)(difluoro)acetate
- IUPAC
- methyl 2-(4-chlorophenyl)-2,2-difluoroacetate
- English name
- Methyl (4-chlorophenyl)(difluoro)acetate
- Molecular formula
- C9H7ClF2O2
- Molecular weight
- 220.6
Names & synonyms
1393558-32-1Methyl 2-(4-chlorophenyl)-2,2-difluoroacetateMETHYL (4-CHLOROPHENYL)(DIFLUORO)ACETATEMFCD22547876SCHEMBL23457134IVEJHYQFZLKTCM-UHFFFAOYSA-NAB84705BS-30823Methyl2-(4-chlorophenyl)-2,2-difluoroacetatemethyl 2-(4-chlorophenyl)-2,2-difluoro-acetateBenzeneacetic acid, 4-chloro-α,α-difluoro-, methyl ester
Database identifiers
- CAS
1393558-32-1- PubChem CID
- 72218217
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Boiling point
- 249.4 · 249.4±35.0 °C(Predicted)
- Density
- 1.329 · 1.329±0.06 g/cm3(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
Suppliers4 total
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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