4-(트리플루오로메톡시)벤질브로마이드

1-(Bromomethyl)-4-(trifluoromethoxy)benzene

HCID 142785

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 50824-05-0
표준 SMILES: FC(F)(F)Oc1ccc(CBr)cc1
InChIKey: JDNPUJCKXLOHOW-UHFFFAOYSA-N
분자식: C8H6BrF3O
평균 분자량: 255.03 g/mol
단동위원소 질량: 253.95541157

이름 및 식별자

우선 이름: 1-(Bromomethyl)-4-(trifluoromethoxy)benzene
IUPAC: 1-(bromomethyl)-4-(trifluoromethoxy)benzene
현지명: 4-(트리플루오로메톡시)벤질브로마이드
영어명: 4-(Trifluoromethoxy)benzyl bromide
분자식: C8H6BrF3O
분자량: 255.03

이름 및 동의어

1-(bromomethyl)-4-(trifluoromethoxy)benzene4-Trifluoromethoxybenzyl bromideRefChem:427316628-274-24-(Trifluoromethoxy)benzyl bromide50824-05-0MFCD00061238Benzene, 1-(bromomethyl)-4-(trifluoromethoxy)-4-(bromomethyl)phenyl trifluoromethyl ether4-(Trifluoromethoxy)benzylbromide[4-(bromomethyl)phenoxy]trifluoromethane1-Bromomethyl-4-trifluoromethoxybenzene; 4-(Bromomethyl)phenyl Trifluoromethyl Ether; 4-(Trifluoromethoxy)-1-(bromomethyl)-benzene; 4-Trifluoromethoxybenzyl Bromide; p-Trifluoromethoxybenzyl Bromide

이름 더 보기

4-(트리플루오로메톡시)벤질브로마이드TIMTEC-BB SBB006578Pretomanid Impurity 44-(Trifluoromethoxy)benzylTrifluoroMethoxy BroMobenzyl4-trifluoromethoxybromobenzylP-TritluromethoxybenzylBromide4-trifluoromethoxylbenzylbromide4-(Trifluoromethyloxy）benzylbromide

alpha-Bromo-4-(trifluoromethoxy)toluene4-trifluormethoxybenzylbromide4-trifluoromethoxybenzylbromideSCHEMBL1042334-trifluoromethoxy-benzylbromidep-trifluoromethoxy benzyl bromide4-trifluoromethoxy benzyl bromide4-trifluoromethoxy-benzyl bromide

데이터베이스 식별자

CAS: 50824-05-0
PubChem CID: 142785
DTXSID: DTXSID00198855
EC Number: 628-274-2
Nikkaji: J2.620.201I

물성

구조 계산 물성

XLogP: 3.7
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: 152

물리화학적 성질

녹는점: 22 · 22-24°C
끓는 점: 82 · 82-84 °C10 mm Hg(lit.)
밀도: 1.594 g/mL · 1.594 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.48(lit.)
인화점: 202 °F · 202 °F
저장 조건: Refrigerated.
용해도: 클로로포름, 메탄올에 용해됨
물리적 상태: 액체 또는 저융점 고체
Specific Gravity: 1.594 · 1.594
색상: 맑고 희미한 노란색
BRN: 2521451 · 2521451
InChI: InChI=1S/C8H6BrF3O/c9-5-6-1-3-7(4-2-6)13-8(10,11)12/h1-4H,5H2
InChIKey: JDNPUJCKXLOHOW-UHFFFAOYSA-N
SMILES: C1(CBr)=CC=C(OC(F)(F)F)C=C1

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

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

안전 데이터

wgk: 3
ridadr: UN 3265 8/PG 2
HS 번호: 29093090
risk_code: 34
hazard_code: C
safety_code: 26-27-28-36/37/39-45
포장분류: III
위험 등급: 8
위험 참고 사항: Corrosive/Lachrymatory
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도4-(Trifluoromethoxy)benzyl bromide may be used in the synthesis of bioreductive drug, (6S)-2-nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (PA-824).

일반 설명Polymerizations of 4-(trifluoromethoxy)benzyl bromide, via Friedel-Crafts polymerization using aluminum chloride as a catalyst has been reported.