2-Bromo-3-fluorobenzotrifluoride
Basic information
- CAS
104540-42-3- Standard SMILES
Fc1cccc(C(F)(F)F)c1Br- InChIKey
UERAGXKMOXUWPC-UHFFFAOYSA-N- Molecular formula
- C7H3BrF4
- Average molar mass
- 243 g/mol
- Monoisotopic mass
- 241.93543
Names & identifiers
- Preferred name
- 2-Bromo-3-fluorobenzotrifluoride
- IUPAC
- 2-bromo-1-fluoro-3-(trifluoromethyl)benzene
- English name
- 2-Bromo-3-fluorobenzotrifluoride
- Molecular formula
- C7H3BrF4
- Molecular weight
- 243
Names & synonyms
2-Bromo-3-fluorobenzotrifluoride104540-42-3DTXSID90333733RefChem:85668DTXCID00284823670-898-2UERAGXKMOXUWPC-UHFFFAOYSA-N2-Bromo-1-fluoro-3-(trifluoromethyl)benzeneMFCD000612432-Fluoro-6-(trifluoromethyl)bromobenzene2-bromo-3-fluorobenzo trifluorideAS-17256
Show more names
2-Bromo-3-fluorobenzotrifluoride98%2-Bromo-3-fluorobenzotrifluoride >2-Bromo-3-fluorobenzotrifluoride 98%2-Bromo-3-fluorobenzotrifluoride, 97+%1-BROMO-2-FLUORO-6-(TRIFLUOROMETHYL)BENZENE
2-bromo-1-fluoro-3-trifluoromethylbenzene2-bromo-1-fluoro-3-trifluoromethyl-benzene2-Bromo-3-fluoro-1-(trifluoromethyl)benzeneBenzene, 2-bromo-1-fluoro-3-(trifluoromethyl)-2-BROMO-1-FLUORO-3-(TRIFLUOROMETHYL)-BENZENESCHEMBL1198277SCHEMBL2285706SCHEMBL29595462
Database identifiers
- CAS
104540-42-3- PubChem CID
- 517847
- DTXSID
DTXSID90333733- EC Number
- 670-898-2
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Melting point
- 167 · 167-168°
- Boiling point
- 167 · 167-168 °C (lit.)
- Density
- 1.741 g/mL · 1.741 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.47(lit.)
- Flash point
- 190 °F · 190 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- InChI
- InChI=1S/C7H3BrF4/c8-6-4(7(10,11)12)2-1-3-5(6)9/h1-3H
- InChIKey
- UERAGXKMOXUWPC-UHFFFAOYSA-N
- SMILES
- C1(F)=CC=CC(C(F)(F)F)=C1Br
- CAS DataBase Reference
- 104540 · 104540-42-3(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 3
- ridadr
- UN 1993 / PGIII
- hs_code
- 29039990
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39-36
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H227-H315-H319-H335
- Precautionary statements
- P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501-P210e-P261-P280a-P305+P351+P338-P405-P501a
Related reactions
6 records
Compound notes
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