1,4-Dibromo-2-(trifluoromethyl)benzene
Basic information
- CAS
7657-09-2- Standard SMILES
FC(F)(F)c1cc(Br)ccc1Br- InChIKey
VWKFJAOCLPPQGR-UHFFFAOYSA-N- Molecular formula
- C7H3Br2F3
- Average molar mass
- 303.9 g/mol
- Monoisotopic mass
- 301.85536
Names & identifiers
- Preferred name
- 1,4-Dibromo-2-(trifluoromethyl)benzene
- IUPAC
- 1,4-dibromo-2-(trifluoromethyl)benzene
- English name
- 2,5-DIBROMOBENZOTRIFLUORIDE
- Molecular formula
- C7H3Br2F3
- Molecular weight
- 303.9
Names & synonyms
1,4-Dibromo-2-(trifluoromethyl)benzene7657-09-2EINECS 231-620-1DTXSID20227378NSC 88275RefChem:416696DTXCID20149869231-620-12,5-DibromobenzotrifluorideMFCD00013554Benzene, 1,4-dibromo-2-(trifluoromethyl)-1,4-Bibromo-2-(trifluoromethyl)benzene
Show more names
2,5-Dibromobenzotrifluoride>2,5-Dibromobenzotrifluoride,98%2,5-DIBROMO-A,A,A-TRIFLUOROTOLUENE2,5-Dibromo Trifluoromethylbenzene2,5-DIBROMO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE1,4-Dibromo-2-(trifluoromethyl)benzene, 2,5-Dibromo-alpha,alpha,alpha-t
1,4-dibromo-2-trifluoromethyl-benzeneNCIOpen2_0096605W6VZ4P3522,5-Dibromobenzotrifluoride, 98%1,4-dibromo-2-trifluoromethylbenzeneNSC-88275PS-71171,4-dibro-mo-2-(trifluoromethyl)benzene
Database identifiers
- CAS
7657-09-2- PubChem CID
- 82108
- DTXSID
DTXSID20227378- UNII
- 5W6VZ4P352
- EC Number
- 231-620-1
- Nikkaji
- J307.911B
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Melting point
- 49 · 49-51 °C(lit.)
- Boiling point
- 47 °C · 47 °C
- refractive index
- 1.52 · 1.52
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to lump
- color
- White to Light yellow
- BRN
- 2261093 · 2261093
- InChI
- 1S/C7H3Br2F3/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H
- InChIKey
- VWKFJAOCLPPQGR-UHFFFAOYSA-N
- SMILES
- FC(F)(F)c1cc(Br)ccc1Br
- CAS DataBase Reference
- 7657 · 7657-09-2(CAS DataBase Reference)
- FDA UNII
- 5 W6VZ4P352 · 5W6VZ4P352
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
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 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 CategoriesAcute Tox. 4 (14.3%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- ridadr
- 3276
- hs_code
- 2903998090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280g-P305+P351+P338
Chemistry & industry
Applications
Uses2,5-Dibromobenzotrifluoride (CAS# 7657-09-2) can be used to prepare for use as anti-cancer agents. It can also be used as a novel anhydride compound to prepare polyamic acid and polyimide.
Uses2,5-Dibromobenzotrifluoride (1,4-Dibromo-2-(trifluoromethyl)benzene) may be used to synthesize 4-bromo-2-(trifluoromethyl)benzaldehyde and functionalized alkynyl-substituted (trifluoromethyl)benzenes.
General Description2,5-Dibromobenzotrifluoride is a halogenated hydrocarbon.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
1 records
Compound notes
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