1-(Bromomethyl)-4-(trifluoromethyl)benzene

HCID 123062CAS 402-49-3

기본 정보

표준 SMILES: FC(F)(F)c1ccc(CBr)cc1
InChIKey: IKSNDOVDVVPSMA-UHFFFAOYSA-N
분자식: C8H6BrF3
평균 분자량: 239.03 g/mol
단동위원소 질량: 237.96049695

이름 및 식별자

우선 이름: 1-(Bromomethyl)-4-(trifluoromethyl)benzene
IUPAC: 1-(bromomethyl)-4-(trifluoromethyl)benzene
영어명: 4-(TRIFLUOROMETHYL)BENZYL BROMIDE
분자식: C8H6BrF3
분자량: 239.03

이름 및 동의어

402-49-34-(Trifluoromethyl)benzyl bromide1-(Bromomethyl)-4-(trifluoromethyl)benzeneBenzene, 1-(bromomethyl)-4-(trifluoromethyl)-EINECS 206-947-8DTXSID30193196RefChem:427318DTXCID40115687206-947-84-Trifluoromethylbenzyl bromide4-(Bromomethyl)benzotrifluoridep-Trifluoromethylbenzyl bromide

이름 더 보기

TIMTEC-BB SBB0066984-(Trifluoromethyl)bà'-bromo-à,à,à-trifluoro-p-xyleneα′-Bromo-α,α,α-trifluoro-p-xylene4-(Trifluoromethyl)benzylbromide98%4-(three fluoroMethyl)benzyl broMide

MFCD00000403A'-Bromo-A,A,A-trifluoro-p-xylene4-(trifluoromethyl)benzylbromide4-trifluoromethyl benzyl bromidep-(trifluoromethyl)benzyl bromidealpha'-Bromo-alpha,alpha,alpha-trifluoro-p-xylene4-trifluoromethylbenzylbromide4-(trifluoromethyl)-benzyl bromide

데이터베이스 식별자

CAS: 402-49-3
PubChem CID: 123062
DTXSID: DTXSID30193196
UNII: T5YRU2P3EP
EC Number: 206-947-8
Nikkaji: J213.654F

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 136

물리화학적 성질

녹는점: 29 · 29-33 °C(lit.)
끓는 점: 65 · 65-69 °C5 mm Hg(lit.)
밀도: 1.546 g/mL · 1.546 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.484(lit.)
인화점: 192 °F · 192 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 결정질 저융점 고체
색상: 흰색에서 밝은 노란색
Specific Gravity: 1.546 · 1.546
수용성: 물에 불용성.
BRN: 638980 · 638980
InChI: 1S/C8H6BrF3/c9-5-6-1-3-7(4-2-6)8(10,11)12/h1-4H,5H2
InChIKey: IKSNDOVDVVPSMA-UHFFFAOYSA-N
SMILES: FC(F)(F)c1ccc(CBr)cc1
NIST: 4 · 4-Trifluoromethylbenzyl bromide(402-49-3)

화학적 성질

white to light yellow crystalline

안전 및 규제

GHS 분류

GHS Classification · 4건

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 51 reports by companies from 6 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationBenzene, 1-(bromomethyl)-4-(trifluoromethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (100%)