2-Benzyl-4,6-dichlorophenol
Basic information
- CAS
19578-81-5- Standard SMILES
Oc1c(Cl)cc(Cl)cc1Cc1ccccc1- InChIKey
MJTIYXIISJNFMG-UHFFFAOYSA-N- Molecular formula
- C13H10Cl2O
- Average molar mass
- 253.12 g/mol
- Monoisotopic mass
- 252.0108703
Names & identifiers
- Preferred name
- 2-Benzyl-4,6-dichlorophenol
- IUPAC
- 2-benzyl-4,6-dichlorophenol
- English name
- 6-benzyl-2,4-dichlorophenol
- Molecular formula
- C13H10Cl2O
- Molecular weight
- 253.12
Names & synonyms
2-benzyl-4,6-dichlorophenol6-Benzyl-2,4-dichlorophenol2,4-Dichloro-6-benzylphenol2,4-Dichloro-6-(phenylmethyl)phenolUNII-0SZQ484M2L0SZQ484M2LPhenol, 2,4-dichloro-6-(phenylmethyl)-EINECS 243-167-7DTXSID9075167O-CRESOL, 4,6-DICHLORO-.ALPHA.-PHENYL-RefChem:197684DTXCID6036124
Show more names
O-CRESOL, 4,6-DICHLORO-ALPHA-PHENYL-19578-81-5Phenol,2,4-dichloro-6-(phenylmethyl)-2-Benzyl-4,6-DichlorphenolMJTIYXIISJNFMG-UHFFFAOYSA-NAKOS000114321NS00021807Q27237212
Database identifiers
- CAS
19578-81-5- PubChem CID
- 88155
- DTXSID
DTXSID9075167- UNII
- 0SZQ484M2L
- EC Number
- 243-167-7
- Nikkaji
- J225.229E
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 216
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 77 · 77.0-77.5 °C
- Boiling point
- 358.89 °C · 358.89°C (rough estimate)
- Density
- 1.217 · 1.2170 (rough estimate)
- refractive index
- 1.5555 · 1.5555 (estimate)
- form
- solid
- pka
- 8.31 · 8.31±0.48(Predicted)
- Water Solubility
- 5.822 mg/L · 5.822mg/L(25 ºC)
- InChI
- 1S/C13H10Cl2O/c14-11-7-10(13(16)12(15)8-11)6-9-4-2-1-3-5-9/h1-5,7-8,16H,6H2
- InChIKey
- MJTIYXIISJNFMG-UHFFFAOYSA-N
- FDA UNII
- 0 SZQ484M2L · 0SZQ484M2L
- EPA Substance Registry System
- 2 · 2,4-Dichloro-6-benzylphenol (19578-81-5)
- UNSPSC Code
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, 2,4-dichloro-6-(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.
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H317-H319-H410
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Sens. 1
- Precautionary statements
- P261-P264-P273-P280-P302+P352-P305+P351+P338
Suppliers
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Compound notes
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