2-(Bromomethyl)-1,4-bis(trifluoromethyl)benzene

HCID 2773199CAS 302911-98-4

기본 정보

표준 SMILES: FC(F)(F)c1ccc(C(F)(F)F)c(CBr)c1
InChIKey: CHSQGVCRNVEWIA-UHFFFAOYSA-N
분자식: C9H5BrF6
평균 분자량: 307.03 g/mol
단동위원소 질량: 305.94788

이름 및 식별자

우선 이름: 2-(Bromomethyl)-1,4-bis(trifluoromethyl)benzene
IUPAC: 2-(bromomethyl)-1,4-bis(trifluoromethyl)benzene
영어명: 2,5-Bis(trifluoromethyl)benzyl bromide
분자식: C9H5BrF6
분자량: 307.03

이름 및 동의어

2-(bromomethyl)-1,4-bis(trifluoromethyl)benzeneRefChem:459912302911-98-42,5-Bis(trifluoromethyl)benzyl bromideMFCD00799485Benzene, 2-(bromomethyl)-1,4-bis(trifluoromethyl)-2,5-bis(Trifluoromethyl)benzylbromide2,5-BIS(TRIFLUORMETHYL)BENZYL BROMIDE2-(2-BROMOETHYL)-1,4-BIS(TRIFLUOROMETHYL)BENZENE1,4-Bis(trifluoromethyl)-2-(bromomethyl)benzeneSCHEMBL1775557DTXSID80378279

이름 더 보기

2,5-BIS(TRIFLUOROMETHYL)BENZYL BROMIDE ISO 9001：2015 REACH

AKOS005257750PS-9882AC-26169SY040262DB-0477452,5-Bis(trifluoromethyl)benzyl bromide 97%2,5-Bis(trifluoromethyl)benzyl bromide, 97%N12037

데이터베이스 식별자

CAS: 302911-98-4
PubChem CID: 2773199
DTXSID: DTXSID80378279
EC Number: 642-624-1
Nikkaji: J2.652.114I

물성

구조 계산 물성

XLogP: 4.2
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 233

물리화학적 성질

끓는 점: 176 · 176
밀도: 1.674 g/mL · 1.674 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.449(lit.)
인화점: 91 °C · 91 °C
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: 액체
색상: Clear, colourless
InChI: 1S/C9H5BrF6/c10-4-5-3-6(8(11,12)13)1-2-7(5)9(14,15)16/h1-3H,4H2
InChIKey: CHSQGVCRNVEWIA-UHFFFAOYSA-N
SMILES: FC(F)(F)c1ccc(c(CBr)c1)C(F)(F)F

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 45 reports by companies from 3 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.