Basic information
- CAS
7475-56-1- Standard SMILES
O=C(O)C(Cl)(c1ccccc1)c1ccccc1- InChIKey
UJRMHFPTLFNSTA-UHFFFAOYSA-N- Molecular formula
- C14H11ClO2
- Average molar mass
- 246.69 g/mol
- Monoisotopic mass
- 246.0447573
Names & identifiers
- Preferred name
- Chlorodiphenylacetic acid
- IUPAC
- 2-chloro-2,2-diphenylacetic acid
- English name
- chlorodiphenylacetic acid
- Molecular formula
- C14H11ClO2
- Molecular weight
- 246.68894
Names & synonyms
Chlorodiphenylacetic acid2-chloro-2,2-diphenylacetic acid7475-56-1chloro(diphenyl)acetic acidBenzeneacetic acid, a-chloro-a-phenyl-NSC400464NSC-400464EINECS 231-277-8DiphenylchloressigsaureEBK7UX6RTXalpha-Chloro-alpha-phenylbenzeneacetic acidChlorodiphenyl acetic acid
Show more names
Flamprop-methyl Impurity 10α-Chloro-α-phenylbenzeneacetic acidBenzeneacetic acid, α-chloro-α-phenyl-
Chlorodi(phenyl)acetic acidNCIStruc1_000674NCIStruc2_001221Acetic acid, chlorodiphenyl-SCHEMBL41202CHEMBL1741929DTXSID00225731UJRMHFPTLFNSTA-UHFFFAOYSA-N
Database identifiers
- CAS
7475-56-1- PubChem CID
- 81990
- DTXSID
DTXSID00225731- ChEMBL
CHEMBL1741929- UNII
- EBK7UX6RTX
- EC Number
- 231-277-8
- Nikkaji
- J278.880B
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 247
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 115 · 115-121 °C
- Boiling point
- 372.7 · 372.7±37.0 °C(Predicted)
- Density
- 1.283 · 1.283±0.06 g/cm3(Predicted)
- solubility
- Dichloromethane; DMSO
- form
- Solid
- pka
- 2.01 · 2.01±0.10(Predicted)
- color
- Beige
- FDA UNII
- 7 UX6RTX · EBK7UX6RTX
Chemistry & industry
Applications
UsesChlorodiphenylacetic Acid is an intermediate in synthesizing Estocin (E668500), an opioid analgesic and is closely related to Benactyzine Hydrochloride (B119600).
Suppliers5 total
北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
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