Basic information
- CAS
2985-80-0- Standard SMILES
O=C(c1ccccc1)c1ccc(Cl)cc1O- InChIKey
JYFJHKRWGLEWKH-UHFFFAOYSA-N- Molecular formula
- C13H9ClO2
- Average molar mass
- 232.66 g/mol
- Monoisotopic mass
- 232.0291072
Names & identifiers
- Preferred name
- 2-Benzoyl-5-chlorophenol
- IUPAC
- (4-chloro-2-hydroxyphenyl)-phenylmethanone
- English name
- (4-chloro-2-hydroxyphenyl)(phenyl)methanone
- Molecular formula
- C13H9ClO2
- Molecular weight
- 232.66
Names & synonyms
2-benzoyl-5-chlorophenol2985-80-0RefChem:465597834-194-0CHLOROHYDROXYBENZOPHENONE55299-12-2(4-chloro-2-hydroxyphenyl)-phenylmethanone(4-chloro-2-hydroxyphenyl)(phenyl)methanoneSCHEMBL460727DTXSID60203813AKOS033191382(4-chloro-2-hydroxyphenyl)phenylmethanone
Show more names
Methanone, (4-chloro-2-hydroxyphenyl)phenyl-
NS00132772EN300-55699G54545AE-562/11333719Z838954588
Database identifiers
- CAS
2985-80-0、55299-12-2- PubChem CID
- 41389
- DTXSID
DTXSID60203813- EC Number
- 834-194-0
- Nikkaji
- J1.399.963E
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Melting point
- 77 °C · 77°C
- Boiling point
- 345.8 · 345.8±27.0 °C(Predicted)
- Density
- 1.307 · 1.307±0.06 g/cm3(Predicted)
- pka
- 6.97 · 6.97±0.35(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Preparation methods
PreparationPreparation by Fries rearrangement of m-chlorophenyl benzoate, with aluminium chloride, without solvent, at 140° for 1 h (54%), at 150° for 2 h (58%)], at 175° for 15 min (80%) or at 200° for 20 min; with titanium tetrachloride for 15 min at 175° (67%).
Suppliers1 total
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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