Basic information
- CAS
31450-13-2- Standard SMILES
FC(F)(F)/C=C/CBr- InChIKey
AFLONCGUFNMHMB-OWOJBTEDSA-N- Molecular formula
- C4H4BrF3
- Average molar mass
- 188.97 g/mol
- Monoisotopic mass
- 187.94485
Names & identifiers
- Preferred name
- 1,1,1-Trifluoro-4-bromo-2-butene
- IUPAC
- (E)-4-bromo-1,1,1-trifluorobut-2-ene
Names & synonyms
(2e)-4-bromo-1,1,1-trifluorobut-2-ene31450-13-21,1,1-Trifluoro-4-bromo-2-butene(E)-4-bromo-1,1,1-trifluorobut-2-eneSCHEMBL8724715AFLONCGUFNMHMB-OWOJBTEDSA-NEN300-7595457F1921-0822
Database identifiers
- CAS
31450-13-2- PubChem CID
- 11052411
- EC Number
- 184-961-2
- Nikkaji
- J1.158.982K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 83.8
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
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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 CategoriesFlam. Liq. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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