6-chloro-7-hydroxy-4-phenyl-2H-chromen-2-one
Basic information
- CAS
53391-72-3- Standard SMILES
O=c1cc(-c2ccccc2)c2cc(Cl)c(O)cc2o1- InChIKey
TUQNFQUMZKUALD-UHFFFAOYSA-N- Molecular formula
- C15H9ClO3
- Average molar mass
- 272.68 g/mol
- Monoisotopic mass
- 272.0240218
Names & identifiers
- Preferred name
- 6-chloro-7-hydroxy-4-phenyl-2H-chromen-2-one
- IUPAC
- 6-chloro-7-hydroxy-4-phenylchromen-2-one
- English name
- 6-Chloro-7-hydroxy-4-phenyl-2H-chromen-2-one
- Molecular formula
- C15H9ClO3
- Molecular weight
- 272.68
Names & synonyms
6-chloro-7-hydroxy-4-phenyl-2H-chromen-2-one53391-72-3DTXSID50419865RefChem:308041DTXCID20370712964-477-56-chloro-7-hydroxy-4-phenylchromen-2-one6-Chloro-7-hydroxy-4-phenyl-2H-1-benzopyran-2-one6-Chloranyl-7-Oxidanyl-4-Phenyl-Chromen-2-OneMFCD00791714UWU6-Chloro-7-hydroxy-4-phenyl-chromen-2-one
Show more names
2H-1-Benzopyran-2-one, 6-chloro-7-hydroxy-4-phenyl-
Oprea1_061370Oprea1_187298IFLab1_001694SCHEMBL21629563HMS1416M22DCA39172BBL029016EiM08-40624
Database identifiers
- CAS
53391-72-3- PubChem CID
- 5398657
- DTXSID
DTXSID50419865- EC Number
- 964-477-5
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- Melting point
- 258 · 258-260 °C
- Boiling point
- 469.2 · 469.2±45.0 °C(Predicted)
- Density
- 1.437 · 1.437±0.06 g/cm3(Predicted)
- pka
- 6.34 · 6.34±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
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
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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