(1-Bromo-3,3,3-trifluoropropyl)benzene
Basic information
- CAS
3238-20-8- Standard SMILES
FC(F)(F)CC(Br)c1ccccc1- InChIKey
AYKUFAYXLNQFMV-UHFFFAOYSA-N- Molecular formula
- C9H8BrF3
- Average molar mass
- 253.06 g/mol
- Monoisotopic mass
- 251.97615
Names & identifiers
- Preferred name
- (1-Bromo-3,3,3-trifluoropropyl)benzene
- IUPAC
- (1-bromo-3,3,3-trifluoropropyl)benzene
- English name
- Benzene, (1-bromo-3,3,3-trifluoropropyl)-
- Molecular formula
- C9H8BrF3
- Molecular weight
- 253.0590296
Names & synonyms
(1-Bromo-3,3,3-trifluoropropyl)benzene3238-20-8Benzene, (1-bromo-3,3,3-trifluoropropyl)-SCHEMBL11066670DTXSID60705822DAA23820(1-bromo-3,3,3-trifluoro-propyl)benzeneCS-0250422EN300-5078243
Database identifiers
- CAS
3238-20-8- PubChem CID
- 53668720
- DTXSID
DTXSID60705822- EC Number
- 155-763-3
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 149
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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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