1-Bromo-3,5-bis(trifluoromethyl)benzene (HCID 67602)

Names & identifiers

Preferred name: 1-Bromo-3,5-bis(trifluoromethyl)benzene
IUPAC: 1-bromo-3,5-bis(trifluoromethyl)benzene
English name: 3,5-Bis(trifluoromethyl)bromobenzene
Molecular formula: C8H3BrF6
Molecular weight: 293

Names & synonyms

328-70-11-Bromo-3,5-bis(trifluoromethyl)benzeneBenzene, 1-bromo-3,5-bis(trifluoromethyl)-3,5-bis(trifluoromethyl)-1-bromobenzeneEINECS 206-334-5CSVCVIHEBDJTCJ-UHFFFAOYSA-DTXSID20186471NSC 88284RefChem:430340DTXCID30108962206-334-5InChI=1/C8H3BrF6/c9-6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3H

Show more names

3,5-Bis(trifluoromethyl)phenyl bromideMBT-BR1,3-Bis(trifL1-BROMO-3,5-BIS)-5-bromobenzeneElinzanetant Impurity 93,5-Bis(trifluoromethly)b...

3,5-Bis(trifluoromethyl)bromobenzene1,3-Bis(trifluoromethyl)-5-bromobenzeneMFCD000003813,5-di(Trifluoromethyl)bromobenzeneNSC88284NSC-882843,5-bis(trifluoromethy)bromobenzene3,5-bis(trifluoromethyl)bromo benzene

Database identifiers

CAS: 328-70-1
PubChem CID: 67602
DTXSID: DTXSID20186471
UNII: 4AJA4BRA4R
EC Number: 206-334-5
Nikkaji: J193.751K

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 198

Experimental & physicochemical properties

PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

Physicochemical properties

Melting point: 16 °C · −16 °C(lit.)
Boiling point: 154 °C · 154 °C(lit.)
Density: 1.699 g/mL · 1.699 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.427(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Sparingly)
form: Liquid
Specific Gravity: 1.699 · 1.699
color: Clear colorless to slightly yellow
Water Solubility: Immiscible with water.
BRN: 2123669 · 2123669
InChI: 1S/C8H3BrF6/c9-6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3H
InChIKey: CSVCVIHEBDJTCJ-UHFFFAOYSA-N
SMILES: FC(F)(F)c1cc(Br)cc(c1)C(F)(F)F
CAS DataBase Reference: 328 · 328-70-1(CAS DataBase Reference)
NIST Chemistry Reference: 3 · 3,5-Bis(trifluoromethyl)bromobenzene(328-70-1)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 37 · 37/39-26-36-24/25
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29036990 · 29036990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 1 Aquatic · Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2STOT SE 3
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 4.5% (1 of 22) of reports.

Warning

H315 (90.9%): 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 22 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 03-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/20435

3,5-Bis(trifluoromethyl)-1-bromobenzene: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (90.9%)

Safety data

PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 3
hs_code: 29036990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 37/39-26-36-24/25
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
REACH Registrations: Active
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses1,3-Bis(trifluoromethyl)-5-bromobenzene is used to prepare the tetrakis[3,5-bis(trifluoromethyl)phenyl]borate ion, which acts as a stabilizing counterion for electrophilic organic and organometallic cations.