Basic information
- CAS
344-65-0- Standard SMILES
FC(F)(F)c1cc(Cl)ccc1Br- InChIKey
OSTIALFVJOFNPP-UHFFFAOYSA-N- Molecular formula
- C7H3BrClF3
- Average molar mass
- 259.45 g/mol
- Monoisotopic mass
- 257.90587
Names & identifiers
- Preferred name
- 2-Bromo-5-chlorobenzotrifluoride
- IUPAC
- 1-bromo-4-chloro-2-(trifluoromethyl)benzene
- English name
- 2-Bromo-5-chlorobenzotrifluoride
- Molecular formula
- C7H3BrClF3
- Molecular weight
- 259.45
Names & synonyms
2-Bromo-5-chlorobenzotrifluoride344-65-01-Bromo-4-chloro-2-(trifluoromethyl)benzeneDTXSID10187972RefChem:466780DTXCID70110463608-994-3Benzene, 1-bromo-4-chloro-2-(trifluoromethyl)-MFCD000103082-BROMO-5-CHOROBENZOTRIFLUORIDE2-Bromo-5-chloro-alpha,alpha,alpha-trifluorotolueneAKOS005254779
Show more names
2-BROMO-5-C2-BroMo-5-chlorozotrifluoride5-Chloro-2-Bromobenzotrifluoride2-Bromo-5-chlorobenzotrifluoride99%2-Bromo-5-chlorobenzotrifluoride 99%2-Bromo-5-chlorobenzotrifluoride >2-BROMO-5-CHLOROBENZOTRIFLUORIDE, 98+%2-bromo-5-chloro-α,α,α-trifluorotoluene
DS-12675EN300-20071741-Bromo-4-chloro-2-(trifluoromethyl)benzene;2-Bromo-5-chlorobenzotrifluorideA-trifluorotoluene2-Bromo-5-chloro-A6068Bromo-5-chlorobenzotrifluorideSCHEMBL1410268
Database identifiers
- CAS
344-65-0- PubChem CID
- 136172
- DTXSID
DTXSID10187972- EC Number
- 608-994-3
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 159
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 18 · 18-20°C
- Boiling point
- 179 · 179-180 °C (lit.)
- Density
- 1.759 g/mL · 1.759 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.5080(lit.)
- Flash point
- 198 °C · 198°C
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- clear liquid
- color
- Colorless to Almost colorless
- BRN
- 2448030 · 2448030
- InChI
- 1S/C7H3BrClF3/c8-6-2-1-4(9)3-5(6)7(10,11)12/h1-3H
- InChIKey
- OSTIALFVJOFNPP-UHFFFAOYSA-N
- SMILES
- FC(F)(F)c1cc(Cl)ccc1Br
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 5 reports by companies from 2 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
- hs_code
- 29039990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-36-37-23
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses2-Bromo-5-chlorobenzotrifluoride was used in preparation of 6-[4-chloro-2-(trifluoromethyl)phenyl]-3-fluoro-2-methylpyridine and 4,4′-dichloro-2,2′-bis(trifluoromethyl) diphenyl sulphone.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
安徽合诺生物科技有限公司0555-2761852
陕西缔都化学有限公司
Related reactions
4 records
Compound notes
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