7-Chloro-4-oxo-4H-1-benzopyran-3-carboxaldehyde
Basic information
- CAS
69155-79-9- Standard SMILES
O=Cc1coc2cc(Cl)ccc2c1=O- InChIKey
VGRJRNDUTLCELV-UHFFFAOYSA-N- Molecular formula
- C10H5ClO3
- Average molar mass
- 208.6 g/mol
- Monoisotopic mass
- 207.9927217
Names & identifiers
- Preferred name
- 7-Chloro-4-oxo-4H-1-benzopyran-3-carboxaldehyde
- IUPAC
- 7-chloro-4-oxochromene-3-carbaldehyde
- English name
- 4H-1-Benzopyran-3-carboxaldehyde, 7-chloro-4-oxo-
- Molecular formula
- C10H5ClO3
- Molecular weight
- 208.6
Names & synonyms
69155-79-97-Chloro-4-oxo-4H-1-benzopyran-3-carboxaldehydeDTXSID701244121RefChem:546188DTXCID9016749887-Chloro-4-oxo-4H-chromene-3-carbaldehyde7-CHLORO-3-FORMYLCHROMONE7-chloro-4-oxochromene-3-carbaldehydeSCHEMBL29958044SBB003465AKOS0222296287-Chloro-3-formylchromone, AldrichCPR
Show more names
ST503090747-Chloro-4-oxo-4H-1-benzopyran-3-carbaldehyde4H-1-Benzopyran-3-carboxaldehyde, 7-chloro-4-oxo-
Database identifiers
- CAS
69155-79-9- PubChem CID
- 688752
- DTXSID
DTXSID701244121- EC Number
- 109-255-3
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Melting point
- 183 · 183-186 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
- Boiling point
- 351.9 · 351.9±42.0 °C(Predicted)
- Density
- 1.561 · 1.561±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P316, P302+P352, P321, P330, P333+P317, P362+P364, 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. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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