3-(4-chlorophenyl)-5-methyl-7H-furo[3,2-g]chromen-7-one
Basic information
- CAS
374759-18-9- Standard SMILES
Cc1cc(=O)oc2cc3occ(-c4ccc(Cl)cc4)c3cc12- InChIKey
XBIVXNIRHZNVRU-UHFFFAOYSA-N- Molecular formula
- C18H11ClO3
- Average molar mass
- 310.7 g/mol
- Monoisotopic mass
- 310.0396719
Names & identifiers
- Preferred name
- 3-(4-chlorophenyl)-5-methyl-7H-furo[3,2-g]chromen-7-one
- IUPAC
- 3-(4-chlorophenyl)-5-methylfuro[3,2-g]chromen-7-one
- English name
- 3-(4-chlorophenyl)-5-methylfuro[3,2-g]chromen-7-one
- Molecular formula
- C18H11ClO3
- Molecular weight
- 310.73
Names & synonyms
3-(4-chlorophenyl)-5-methyl-7H-furo[3,2-g]chromen-7-one374759-18-9Oprea1_049939STL456794AKOS0016665813-(4-chlorophenyl)-5-methyl-7H-furo[3,2-g][1]benzopyran-7-one3-(4-chlorophenyl)-5-methylfuro[3,2-g]chromen-7-one7H-Furo[3,2-g][1]benzopyran-7-one, 3-(4-chlorophenyl)-5-methyl-
Database identifiers
- CAS
374759-18-9- PubChem CID
- 707696
- EC Number
- 166-051-7
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 481
Physicochemical properties
- Melting point
- 189 · 189-191 °C(Solv: acetic acid (64-19-7))
- Boiling point
- 504.9 · 504.9±50.0 °C(Predicted)
- Density
- 1.355 · 1.355±0.06 g/cm3(Predicted)
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]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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%)
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Related reactions
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Compound notes
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