1-Brom-3,5-bis(trifluormethyl)benzol

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

HCID 67602CAS 328-70-1

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Grundinformationen

Standard-SMILES: FC(F)(F)c1cc(Br)cc(C(F)(F)F)c1
InChIKey: CSVCVIHEBDJTCJ-UHFFFAOYSA-N
Summenformel: C8H3BrF6
Durchschnittliche Molmasse: 293 g/mol
Monoisotopische Masse: 291,93223152

Namen und Bezeichner

Bevorzugter Name: 1-Bromo-3,5-bis(trifluoromethyl)benzene
IUPAC: 1-bromo-3,5-bis(trifluoromethyl)benzene
Lokaler Name: 1-Brom-3,5-bis(trifluormethyl)benzol
Englischer Name: 3,5-Bis(trifluoromethyl)bromobenzene
Summenformel: C8H3BrF6
Molmasse: 293

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,9
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 0
Schwere Atome: 15
Formalladung: 0
Komplexität: 198

Experimentelle und physikochemische Eigenschaften

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

Physikochemische Eigenschaften

Schmelzpunkt: 16 °C · −16 °C(lit.)
Siedepunkt: 154 °C · 154 °C(lit.)
Dichte: 1.699 g/mL · 1.699 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.427(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Sparingly)
Aggregatzustand: Liquid
Wichte: 1.699 · 1.699
Farbe: Clear colorless to slightly yellow
Wasserlöslichkeit: 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 Datenbank: 328 · 328-70-1(CAS DataBase Reference)
NIST chemische Informationen: 3 · 3,5-Bis(trifluoromethyl)bromobenzene(328-70-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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%)

Sicherheitsdaten

wgk: 3
hs_code: 29036990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26-36-24/25
hazard_class: IRRITANT
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden1,3-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.