4-chloro-2H-1-benzopyran-2-one
Basic information
- CAS
17831-88-8- Standard SMILES
O=c1cc(Cl)c2ccccc2o1- InChIKey
RKEYJFRSDLEQIE-UHFFFAOYSA-N- Molecular formula
- C9H5ClO2
- Average molar mass
- 180.59 g/mol
- Monoisotopic mass
- 179.99780708
Names & identifiers
- Preferred name
- 4-chloro-2H-1-benzopyran-2-one
- IUPAC
- 4-chlorochromen-2-one
- English name
- 4-Chloro-2H-chromen-2-one
- Molecular formula
- C9H5ClO2
- Molecular weight
- 180.59
Names & synonyms
17831-88-84-Chloro-2H-1-benzopyran-2-oneEINECS 241-790-9DTXSID80170457NSC 74867RefChem:98405DTXCID6092948241-790-94-chloro-2h-chromen-2-one4-chlorochromen-2-one2H-1-Benzopyran-2-one, 4-chloro-MFCD00463528
Show more names
4-chlorocoumarin4-chloro coumarinNSC74867starbld00098464-Chloro-chromen-2-oneAURORA KA-4413SCHEMBL3547598CHEMBL1210032
Database identifiers
- CAS
17831-88-8- PubChem CID
- 87326
- DTXSID
DTXSID80170457- ChEMBL
CHEMBL1210032- EC Number
- 241-790-9
- Nikkaji
- J287.164E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 235
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 89 · 89-91 °C
- Boiling point
- 120 °C · 120 °C(Press: 2 Torr)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- Light brown to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- HS Code
- 2932990090 · 2932990090
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
- hs_code
- 2932990090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
2 records
Compound notes
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