3,4,5-Trifluorobenzyl bromide

HCID 2777062

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 220141-72-0
표준 SMILES: Fc1cc(CBr)cc(F)c1F
InChIKey: MPEKZIYOLQCWLL-UHFFFAOYSA-N
분자식: C7H4BrF3
평균 분자량: 225.01 g/mol
단동위원소 질량: 223.94485

이름 및 식별자

우선 이름: 3,4,5-Trifluorobenzyl bromide
IUPAC: 5-(bromomethyl)-1,2,3-trifluorobenzene
영어명: 3,4,5-Trifluorobenzyl bromide
분자식: C7H4BrF3
분자량: 225.01

이름 및 동의어

3,4,5-Trifluorobenzyl bromide220141-72-0DTXSID40380358RefChem:90915DTXCID80331384625-477-85-(Bromomethyl)-1,2,3-trifluorobenzeneMFCD00083528Benzene, 5-(bromomethyl)-1,2,3-trifluoro-SCHEMBL3910295-(bromomethyl)-1,2,3-trifluoro-benzene3,4,5-Trifluorobenzyl bromide, 95%

이름 더 보기

-bromo-3,4,5-trifluorotoluene3,4,5-Trifluorobenzoyl bromideà-bromo-3,4,5-trifluorotolueneA-BROMO-3,4,5-TRIFLUOROTOLUENE3,4,5-Trifluorobenzylbromide98%3,4,5-Trifluorobenzyl bromide 98%ALPHA-BROMO-3,4,5-TRIFLUOROTOLUENE

T24643,4,5-trifluorobenzylbromideFT-0614143SBB096756AKOS005064099CS-W022253DS-1386AC-26206

데이터베이스 식별자

CAS: 220141-72-0
PubChem CID: 2777062
DTXSID: DTXSID40380358
EC Number: 625-477-8
Nikkaji: J2.894.822K

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 119

물리화학적 성질

끓는 점: 44 · 44-46°C 1mm
밀도: 1.689 g/mL · 1.689 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.5050(lit.)
인화점: 150 °F · 150 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 투명한 액체
색상: 밝은 노란색에서 갈색까지
BRN: 8680985 · 8680985
InChI: InChI=1S/C7H4BrF3/c8-3-4-1-5(9)7(11)6(10)2-4/h1-2H,3H2
InChIKey: MPEKZIYOLQCWLL-UHFFFAOYSA-N
SMILES: C1(F)=CC(CBr)=CC(F)=C1F

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.