6-chloro-7-[(3-methyl-2-butenyl)oxy]-4-phenyl-2H-chromen-2-one
Basic information
- CAS
374698-13-2- Standard SMILES
CC(C)=CCOc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl- InChIKey
FCCINCXMYNBVHB-UHFFFAOYSA-N- Molecular formula
- C20H17ClO3
- Average molar mass
- 340.8 g/mol
- Monoisotopic mass
- 340.0866221
Names & identifiers
- Preferred name
- 6-chloro-7-[(3-methyl-2-butenyl)oxy]-4-phenyl-2H-chromen-2-one
- IUPAC
- 6-chloro-7-(3-methylbut-2-enoxy)-4-phenylchromen-2-one
- English name
- 6-chloro-7-(3-methylbut-2-enoxy)-4-phenylchromen-2-one
- Molecular formula
- C20H17ClO3
- Molecular weight
- 340.8
Names & synonyms
374698-13-26-chloro-7-[(3-methyl-2-butenyl)oxy]-4-phenyl-2H-chromen-2-one6-chloro-7-((3-methylbut-2-en-1-yl)oxy)-4-phenyl-2H-chromen-2-one6-chloro-7-[(3-methylbut-2-en-1-yl)oxy]-4-phenyl-2H-chromen-2-oneOprea1_284513EiM07-13184STK829295AKOS0056138916-chloro-7-[(3-methylbut-2-en-1-yl)oxy]-4-phenyl-2H-1-benzopyran-2-one6-chloro-7-(3-methylbut-2-enoxy)-4-phenylchromen-2-one6-CHLORO-7-((3-METHYL-2-BUTENYL)OXY)-4-PHENYL-2H-CHROMEN-2-ONE2H-1-Benzopyran-2-one, 6-chloro-7-[(3-methyl-2-buten-1-yl)oxy]-4-phenyl-
Database identifiers
- CAS
374698-13-2- PubChem CID
- 854094
- EC Number
- 143-976-4
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 515
Physicochemical properties
- Boiling point
- 506.7 · 506.7±50.0 °C(Predicted)
- Density
- 1.24 · 1.240±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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, 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 CategoriesAquatic Chronic 4 (100%)
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Related reactions
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Compound notes
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