Basic information
- CAS
75852-50-5- Standard SMILES
O=C(O)Cc1cccc(-c2ccc(Cl)cc2)c1- InChIKey
CEPDBVZDEVXUID-UHFFFAOYSA-N- Molecular formula
- C14H11ClO2
- Average molar mass
- 246.69 g/mol
- Monoisotopic mass
- 246.0447573
Names & identifiers
- Preferred name
- 4'-Chloro(1,1'-biphenyl)-3-acetic acid
- IUPAC
- 2-[3-(4-chlorophenyl)phenyl]acetic acid
- English name
- 3-Biphenyl-4'-chloro-acetic acid
- Molecular formula
- C14H11ClO2
- Molecular weight
- 246.69
Names & synonyms
75852-50-53-BIPHENYLACETIC ACID, 4'-CHLORO-DTXSID102267544'-Chloro[1,1'-biphenyl]-3-acetic acid4'-Chloro(1,1'-biphenyl)-3-acetic acidRefChem:1069028DTXCID401492452-[3-(4-chlorophenyl)phenyl]acetic acid[1,1'-Biphenyl]-3-aceticacid, 4'-chloro-3-BIPHENYL-4'-CHLORO-ACETIC ACIDMFCD017403574'-Chloro-biphenyl-3-acetic acid
Show more names
[3-(4-chlorophenyl)phenyl]acetic acid
2-(4'-Chloro-[1,1'-biphenyl]-3-yl)aceticacid2-(4'-Chloro-[1,1'-biphenyl]-3-yl)acetic acid2-{4'-chloro-[1,1'-biphenyl]-3-yl}acetic acid4'-Chloro-3-biphenylacetic acidBRN 5017119(4'-Chloro-biphenyl-3-yl)-acetic acid(4'-Chlorobiphenyl-3-yl)acetic acid[1,1'-Biphenyl]-3-acetic acid, 4'-chloro-
Database identifiers
- CAS
75852-50-5- PubChem CID
- 53375
- DTXSID
DTXSID10226754- ChEMBL
CHEMBL358376- Nikkaji
- J78.971B
Properties
Computed structural properties
- XLogP
- 3.7
- 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
- 259
Physicochemical properties
- Melting point
- 140 · 140-142 °C(Solv: hexane (110-54-3); benzene (71-43-2))
- Boiling point
- 410 · 410.0±25.0 °C(Predicted)
- Density
- 1.27 · 1.270±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 4.24 · 4.24±0.10(Predicted)
- Appearance
- off-white solid
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Danger
- Hazard statements
- 225 · H225
- Precautionary statements
- 210 · P210-P403+P235
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
- Danger
- Symbol(GHS)
- GHS02
- Hazard statements
- H225
- Precautionary statements
- P210-P403+P235
Chemistry & industry
Suppliers4 total
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [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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