4-(4-Chlorobenzyl)benzene-1,3-diol
Basic information
- CAS
6280-43-9- Standard SMILES
Oc1ccc(Cc2ccc(Cl)cc2)c(O)c1- InChIKey
MJYNBOVNNIZYEI-UHFFFAOYSA-N- Molecular formula
- C13H11ClO2
- Average molar mass
- 234.68 g/mol
- Monoisotopic mass
- 234.0447573
Names & identifiers
- Preferred name
- 4-(4-Chlorobenzyl)benzene-1,3-diol
- IUPAC
- 4-[(4-chlorophenyl)methyl]benzene-1,3-diol
- English name
- 4-[(4-chlorophenyl)methyl]benzene-1,3-diol
- Molecular formula
- C13H11ClO2
- Molecular weight
- 234.68
Names & synonyms
4-(4-chlorobenzyl)benzene-1,3-diol6280-43-94-[(4-chlorophenyl)methyl]benzene-1,3-diolMFCD28969120MLS000737941NSC11150SCHEMBL875812CHEMBL1604681REGID_for_CID_223471DTXSID90279046NSC-11150AKOS030547391
Show more names
1,3-Benzenediol, 4-[(4-chlorophenyl)methyl]-
DS-19661SMR000528097CS-0151384C75952F541746
Database identifiers
- CAS
6280-43-9- PubChem CID
- 223471
- DTXSID
DTXSID90279046- ChEMBL
CHEMBL1604681
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Melting point
- 80.4 °C · 80.4 °C
- Boiling point
- 200 · 200-227 °C(Press: 5 Torr)
- Density
- 1.321 · 1.321±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 9.77 · 9.77±0.35(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
- P261-P305+P351+P338
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Related reactions
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Compound notes
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