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

이름 및 식별자

우선 이름: 1-Bromo-3,5-bis(trifluoromethyl)benzene
IUPAC: 1-bromo-3,5-bis(trifluoromethyl)benzene
영어명: 3,5-Bis(trifluoromethyl)bromobenzene
분자식: C8H3BrF6
분자량: 293

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 4.9
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 0
무거운 원자 수: 15
형식 전하: 0
복잡도: 198

실험 및 물리화학적 성질

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

물리화학적 성질

녹는점: 16 °C · −16 °C(lit.)
끓는 점: 154 °C · 154 °C(lit.)
밀도: 1.699 g/mL · 1.699 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.427(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 액체
Specific Gravity: 1.699 · 1.699
색상: 무색투명~미황색
수용성: 물과 섞이지 않습니다.
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
NIST: 3 · 3,5-Bis(trifluoromethyl)bromobenzene(328-70-1)

화학적 성질

clear colourless to slightly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 2건

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%)

안전 데이터

wgk: 3
HS 번호: 29036990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26-36-24/25
위험 등급: IRRITANT
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도1,3-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.