2-Bromo-1-[4-(difluoromethoxy)phenyl]propan-1-one
Basic information
- CAS
83022-57-5- Standard SMILES
CC(Br)C(=O)c1ccc(OC(F)F)cc1- InChIKey
HOLWNEDFOPNMTE-UHFFFAOYSA-N- Molecular formula
- C10H9BrF2O2
- Average molar mass
- 279.08 g/mol
- Monoisotopic mass
- 277.9754
Names & identifiers
- Preferred name
- 2-Bromo-1-[4-(difluoromethoxy)phenyl]propan-1-one
- IUPAC
- 2-bromo-1-[4-(difluoromethoxy)phenyl]propan-1-one
Names & synonyms
2-bromo-1-[4-(difluoromethoxy)phenyl]propan-1-one83022-57-52-Bromo-1-(4-(difluoromethoxy)phenyl)propan-1-oneRefChem:465942899-997-02-Bromo-1-(4-difluoromethoxy-phenyl)-propan-1-oneSCHEMBL10799504YQF1443HOLWNEDFOPNMTE-UHFFFAOYSA-NAKOS000116595AKOS016050286EN300-04459
Show more names
G26555Z56886374
Database identifiers
- CAS
83022-57-5- PubChem CID
- 4464465
- EC Number
- 899-997-0
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 215
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%)
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Related reactions
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Compound notes
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