2-(Trifluoromethoxy)benzyl bromide

HCID 2777254

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 198649-68-2
표준 SMILES: FC(F)(F)Oc1ccccc1CBr
InChIKey: TUNSVUOTVLWNQT-UHFFFAOYSA-N
분자식: C8H6BrF3O
평균 분자량: 255.03 g/mol
단동위원소 질량: 253.95541

이름 및 식별자

우선 이름: 2-(Trifluoromethoxy)benzyl bromide
IUPAC: 1-(bromomethyl)-2-(trifluoromethoxy)benzene
영어명: 2-(Trifluoromethoxy)benzyl bromide
분자식: C8H6BrF3O
분자량: 255.03

이름 및 동의어

2-(Trifluoromethoxy)benzyl bromide198649-68-2DTXSID80380438RefChem:462475DTXCID20331464642-461-61-(bromomethyl)-2-(trifluoromethoxy)benzeneBenzene, 1-(bromomethyl)-2-(trifluoromethoxy)-MFCD00236321[2-(bromomethyl)phenoxy]trifluoromethanealpha-Bromo-2-(trifluoromethoxy)tolueneSCHEMBL121522

이름 더 보기

CAS:198649-68-22-(Trifluoromethoxy)benzylà-bromo-2-(trifluoromethoxy)tolueneα-Bromo-2-(trifluoromethoxy)toluene2-(Trifluoromethoxy)benzyl bromide 97%1-(Bromomethyl)-2-(trifluoromethoxy)benzene, 2-(Bromomethyl)phenyl trifluoromethyl ether

2-trifluoromethoxybenzyl bromideSCHEMBL29427096TUNSVUOTVLWNQT-UHFFFAOYSA-2-(trifluromethoxy)benzyl bromideSBB101526AKOS007930186AC-7451FT37272

데이터베이스 식별자

CAS: 198649-68-2
PubChem CID: 2777254
DTXSID: DTXSID80380438
EC Number: 642-461-6
Nikkaji: J2.646.674A

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 160

물리화학적 성질

끓는 점: 191.7 · 191.7±35.0 °C(Predicted)
밀도: 1 · 1,583 g/cm3
굴절률: 1.4812 · 1.4812
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 투명한 액체
색상: Light orange to Yellow to Green

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H290 (16.7%): May be corrosive to metals [Warning Corrosive to Metals]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (16.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (16.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (16.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P337+P317, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.