Basic information
- CAS
31089-49-3- Standard SMILES
Oc1ccc(Cc2ccccc2)cc1Cl- InChIKey
SBMDBLZQVGUFAI-UHFFFAOYSA-N- Molecular formula
- C13H11ClO
- Average molar mass
- 218.68 g/mol
- Monoisotopic mass
- 218.0498427
Names & identifiers
- Preferred name
- 4-Benzyl-2-chlorophenol
- IUPAC
- 4-benzyl-2-chlorophenol
- English name
- 4-benzyl-2-chlorophenol
- Molecular formula
- C13H11ClO
- Molecular weight
- 218.68
Names & synonyms
4-Benzyl-2-chlorophenol31089-49-3Phenol, 2-chloro-4-(phenylmethyl)-874JD0W31FEINECS 250-460-3NSC-17285UNII-874JD0W31FP-BENZYL-O-CHLOROPHENOLDTXSID10185034NSC 172852-CHLORO-4-(PHENYLMETHYL)PHENOLRefChem:97969
Show more names
DTXCID20107525250-460-32-chloro-4-(phenylmethyl)-phenolPhenol,2-chloro-4-(phenylmethyl)-SCHEMBL744471NSC17285DS-012191NS00022034
Database identifiers
- CAS
31089-49-3- PubChem CID
- 95094
- DTXSID
DTXSID10185034- UNII
- 874JD0W31F
- EC Number
- 250-460-3
- Nikkaji
- J191.464B
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 189
Experimental & physicochemical properties
SpringerMaterials PropertiesSurface tension
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- FDA UNII
- 874 JD0W31F · 874JD0W31F
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPhenol, 2-chloro-4-(phenylmethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Chemistry & industry
Suppliers3 total
宁波振岳医药科技有限公司19817745290 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
台州川旭医药科技有限公司[email protected] 15165038510 · [email protected]
Related reactions
2 records
Compound notes
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