CAS 2252-44-0 1-Bromo-3-(trifluoromethoxy)benzene (HCID 519964)

이름 및 식별자

우선 이름: 1-Bromo-3-(trifluoromethoxy)benzene
IUPAC: 1-bromo-3-(trifluoromethoxy)benzene
영어명: 3-(Trifluoromethoxy)bromobenzene
분자식: C7H4BrF3O
분자량: 241.01

이름 및 동의어

1-Bromo-3-(trifluoromethoxy)benzene2252-44-0BENZENE, 1-BROMO-3-(TRIFLUOROMETHOXY)-DTXSID90334205RefChem:430433DTXCID60285295670-520-6918-588-03-(Trifluoromethoxy)bromobenzeneMFCD000409433-bromo-1-(trifluoromethoxy)benzene1-Bromo-3-trifluoromethoxy-benzene

이름 더 보기

1-Bromo-3-(trifLBUTTPARK 91\57-27uoromethoxy)benzene3-(trifluoromrthoxy)bromobenzeneM-BROMO(TRIFLUOROMETHOXY)BENZENE3-BROMO(TRIFLUOROMETHOXY)BENZENE3-(TRILFUOROMETHOXY)BROMOBENZENE

Anisole, m-bromo-.alpha..alpha..alpha.-trifluoro-3-bromo-(trifluoromethoxy)benzenem-bromotrifluoromethoxybenzene3-bromotrifluoromethoxybenzene3-TrifluoromethoxybromobenzeneSCHEMBL278324SCHEMBL455599SCHEMBL456928

데이터베이스 식별자

CAS: 2252-44-0
PubChem CID: 519964
DTXSID: DTXSID90334205
EC Number: 670-520-6、918-588-0
Nikkaji: J1.641.457C

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: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 148

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

끓는 점: 156 · 156-158 °C
밀도: 1.62 g/mL · 1.62 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.462(lit.)
인화점: 145 °F · 145 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
Specific Gravity: 1.64 · 1.64
BRN: 1945938 · 1945938
InChI: InChI=1S/C7H4BrF3O/c8-5-2-1-3-6(4-5)12-7(9,10)11/h1-4H
InChIKey: WVUDHWBCPSXAFN-UHFFFAOYSA-N
SMILES: C1(Br)=CC=CC(OC(F)(F)F)=C1
NIST: 3 · 3-(Trifluoromethoxy)bromobenzene(2252-44-0)

화학적 성질

Clear very faintly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

유해성 정보

Hazard Classes and Categories · 2건

Acute Tox. 4 (12.5%)

Acute Tox. 4 (100%)

안전 데이터

wgk: 3
HS 번호: 29049090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26-24/25
위험 등급: IRRITANT
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도1-Bromo-3-(trifluoromethoxy)benzene may be used in the preparation of 1,2-dehydro-3-(trifluoromethoxy)benzene. It may be used in the synthesis of new electronically deficient atropisomeric diphosphine ligand (S)-CF3O-BiPhep [2,2′-bis(diphenylphosphino)-6,6′-ditrifluoromethoxy-1,1′-biphenyl].

일반 설명1-Bromo-3-(trifluoromethoxy)benzene undergoes Diels-Alder reaction with lithium diisopropylamide (LDA) in THF and furan, to yield the corresponding 1,4-dihydro-1,4-epoxy-5- or 6-(trifluoromethoxy)naphthalenes.