(3-Chlorophenyl)(phenyl)methanol
Basic information
- CAS
63012-03-3- Standard SMILES
OC(c1ccccc1)c1cccc(Cl)c1- InChIKey
DDCJHFYXAPQYLA-UHFFFAOYSA-N- Molecular formula
- C13H11ClO
- Average molar mass
- 218.68 g/mol
- Monoisotopic mass
- 218.0498427
Names & identifiers
- Preferred name
- (3-Chlorophenyl)(phenyl)methanol
- IUPAC
- (3-chlorophenyl)-phenylmethanol
- English name
- 3-Chlorobenzhydrol
- Molecular formula
- C13H11ClO
- Molecular weight
- 218.68
Names & synonyms
(3-chlorophenyl)(phenyl)methanolRefChem:400102675-401-263012-03-33-Chlorobenzhydrol(3-chlorophenyl)-phenylmethanol3-Chlorobenzohydrol3-chlorodiphenylmethanolMFCD06201252(3-Chlorophenyl)phenylmethanolBenzenemethanol, 3-chloro-a-phenyl-(3-Chloro-phenyl)-phenyl-methanol
Show more names
Benzenemethanol, 3-chloro-α-phenyl-
3-Chloro-a-phenylbenzenemethanol; (3-Chlorophenyl)phenylmethanol; (+/-)-(3-Chlorophenyl)phenylmethanol; 3-Chlorobenzhydrol; 3-Chlorodiphenylmethanol;AURORA KA-7060SCHEMBL4775313-chlorophenyl(phenyl)carbinolorb3022942SCHEMBL27861948(3-chlorophenyl)-phenyl-methanolDTXSID80341089
Database identifiers
- CAS
63012-03-3- PubChem CID
- 569907
- DTXSID
DTXSID80341089- EC Number
- 675-401-2
- Nikkaji
- J270.006I
Properties
Computed structural properties
- XLogP
- 3.8
- 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
Physicochemical properties
- Melting point
- 40 °C · 40 °C
- Boiling point
- 169 °C/0.1mm · 169°C/0.1mm
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 13.28 · 13.28±0.20(Predicted)
- Appearance
- White to off-white Solid
- CAS DataBase Reference
- 63012 · 63012-03-3(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H303-H335
- Precautionary statements
- 312 · P312-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
Warning
H303 (33.3%): May be harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 5 (33.3%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H303-H335
- Precautionary statements
- P312-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses(3-Chlorophenyl)(phenyl)methanol is useful as T cell activators to treat viral infections and proliferative disorders, such as cancer.
Upstream & downstream products
Upstream raw materials
Related reactions
2 records
Compound notes
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