3-브로모벤조트리플루오르화물

Benzene, 1-bromo-3-(trifluoromethyl)-

HCID 9817CAS 401-78-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: FC(F)(F)c1cccc(Br)c1
InChIKey: NNMBNYHMJRJUBC-UHFFFAOYSA-N
분자식: C7H4BrF3
평균 분자량: 225.01 g/mol
단동위원소 질량: 223.94484689

이름 및 식별자

우선 이름: Benzene, 1-bromo-3-(trifluoromethyl)-
IUPAC: 1-bromo-3-(trifluoromethyl)benzene
현지명: 3-브로모벤조트리플루오르화물
영어명: 3-Bromobenzotrifluoride
분자식: C7H4BrF3
분자량: 225.01

이름 및 동의어

3-Bromobenzotrifluoride401-78-51-Bromo-3-(trifluoromethyl)benzenem-Bromobenzotrifluoride3-(Trifluoromethyl)bromobenzeneBenzene, 1-bromo-3-(trifluoromethyl)-3-Bromobenzyltrifluoride3-Bromotrifluoromethylbenzene3-Brombenzotrifluorid3-(Trifluoromethyl)phenyl bromidem-(Trifluoromethyl)bromobenzenem-(Trifluoromethyl)phenyl bromide

이름 더 보기

3-브로모벤조트리플루오르화물3-브로모벤조트라이플루오라이드3-BromobenzotrifL3-Benzotrifluoride3-Bromobenzofluride3-Bromobenzotrifluor3-brombenzotrifluoride3-Brmobenzotrifluoride3-BROMOTRIFLUOROTOLUENE

m-Bromo(trifluoromethyl)benzenem-Bromo-alpha,alpha,alpha-trifluorotolueneNSC 94683-Brombenzotrifluorid [Czech]EINECS 206-932-6BRN 1449557Toluene, alpha,alpha,alpha-trifluoro-3-bromo-TOLUENE, m-BROMO-alpha,alpha,alpha-TRIFLUORO-

데이터베이스 식별자

CAS: 401-78-5
PubChem CID: 9817
DTXSID: DTXSID1059947
UNII: 9A2GF99MK4
EC Number: 206-932-6
Nikkaji: J37.678G

물성

구조 계산 물성

XLogP: 4
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 132

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: 1 °C · 1°C
끓는 점: 151 · 151-152 °C(lit.)
밀도: 1.613 g/mL · 1.613 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.473(lit.)
인화점: 110 °F · 110 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
Specific Gravity: 1.613 · 1.613
색상: 무색투명~미황색
BRN: 1449557 · 1449557
InChI: InChI=1S/C7H4BrF3/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H
InChIKey: NNMBNYHMJRJUBC-UHFFFAOYSA-N
SMILES: C1(Br)=CC=CC(C(F)(F)F)=C1
NIST: 1 · Benzene, 1-bromo-3-(trifluoromethyl)-(401-78-5)
EPA: 3 · 3-Bromobenzotrifluoride (401-78-5)

화학적 성질

CLEAR COLOURLESS TO SLIGHTLY YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationBenzene, 1-bromo-3-(trifluoromethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: XS7970000
ridadr: UN 1993 3/PG 3
HS 번호: 29036990
risk_code: 10-36/37/38
hazard_code: Xi,F
safety_code: 23-24/25-37/39-26-16-36
포장분류: III
위험 등급: 3
위험 참고 사항: Flammable
Hazard Classifications: Flam. Liq. 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 1-bromo-3-(trifluoromethyl)-: ACTIVE

상·하류 제품 정보

상류 원료

하류 제품

펜플루라민 4-(3-트리푸오로메틸)페닐-4-피페리디놀 1-BENZYL-4-HYDROXY-4-(3-TRIFLUOROTOLYL)피페리디놀 3-(3'-트리플루오로메틸페닐)프로판올 2-Amino-5-bromobenzotrifluoride 3-OXO-3-(3-TRIFLUOROMETHYLPHENYL)PROPIONIC ACID ETHYL ESTER METHYL 3-(TRIFLUOROMETHYL)PHENYLACETATE 3,3'-BIS(TRIFLUOROMETHYL)BENZOPHENONE 3-（trifluoromethyl) Cinnamaldehyde 3-트리플루오로메틸페닐보론산,피나콜에스테르 N-((R)-1-(나프탈렌-1-일)에틸)-3-(3-(트리플루오로메틸)페닐)프로판아미드 5-BROMO-2-IODOBENZOTRIFLUORIDE

공급사50 곳

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