1-브로모-4-트리플로로메톡시벤젠
1-Bromo-4-(trifluoromethoxy)benzene
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기본 정보
- CAS
407-14-7- 표준 SMILES
FC(F)(F)Oc1ccc(Br)cc1- InChIKey
SEAOBYFQWJFORM-UHFFFAOYSA-N- 분자식
- C7H4BrF3O
- 평균 분자량
- 241 g/mol
- 단동위원소 질량
- 239.93976
이름 및 식별자
- 우선 이름
- 1-Bromo-4-(trifluoromethoxy)benzene
- IUPAC
- 1-bromo-4-(trifluoromethoxy)benzene
- 현지명
- 1-브로모-4-트리플로로메톡시벤젠
- 영어명
- 1-Bromo-4-(trifluoromethoxy)benzene
- 분자식
- C7H4BrF3O
- 분자량
- 241.01
이름 및 동의어
1-Bromo-4-(trifluoromethoxy)benzene407-14-7EINECS 206-979-2DTXSID90193672RefChem:430616DTXCID30116163206-979-24-(Trifluoromethoxy)bromobenzene4-Bromo(trifluoromethoxy)benzene4-trifluoromethoxybromobenzeneBenzene, 1-bromo-4-(trifluoromethoxy)-p-bromotrifluoromethoxybenzene
이름 더 보기
1-브로모-4-(트라이플루오로메톡시)벤젠1-브로모-4-트리플로로메톡시벤젠1-브로모-4-(트리플루오로메톡시)벤젠4-Bromozbenzotrifluoride1-Bromo-4-(trifLTIMTEC-BB SBB0066061-Bromo-4-(trifluoroBenzene, 1-bromo-4-(trifluoP-Bromotrifluoromethoxybenzen1-Bromo-4-(Trifluoromethoxy)Be
MFCD000408344-bromo-1-(trifluoromethoxy)benzenep-Bromophenyl trifluoromethyl ether1-bromo-4-trifluoromethoxy-benzenep-trifluoromethoxybromobenzene4-bromotrifluoromethoxybenzene4-bromo-trifluoromethoxybenzene4-trifluoromethoxy-1-bromobenzene
데이터베이스 식별자
- CAS
407-14-7- PubChem CID
- 521008
- DTXSID
DTXSID90193672- UNII
- AD5CH69MK6
- EC Number
- 206-979-2
- Nikkaji
- J213.665A
물성
구조 계산 물성보충 중
- XLogP
- 3.8
- 극성 표면적
- 9.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 140
물리화학적 성질
- 끓는 점
- 80 °C50 · 80 °C50 mm Hg(lit.)
- 밀도
- 1.622 g/mL · 1.622 g/mL at 25 °C(lit.)
- 증기압
- 20 hPa · 20 hPa (55 °C)
- 굴절률
- 20 · n20/D 1.461(lit.)
- 인화점
- 154 °F · 154 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 11.7 mg/L · 11.7mg/L
- 물리적 상태
- 액체
- Specific Gravity
- 1.64 · 1.64
- 색상
- 무색~황색으로 투명함
- 수용성
- 11.7 mg/L · 11.7mg/L
- BRN
- 2046332 · 2046332
- InChI
- InChI=1S/C7H4BrF3O/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H
- InChIKey
- SEAOBYFQWJFORM-UHFFFAOYSA-N
- SMILES
- C1(Br)=CC=C(OC(F)(F)F)C=C1
- NIST
- P-bromophenyl trifluoromethyl ether(407-14-7)
화학적 성질
CLEAR COLOURLESS TO YELLOW LIQUID
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (70.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (83.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H334 (70.9%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (81.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 55 reports by companies from 8 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.
유해성 정보
Regulatory InformationStatus: Cease Manufacture Update: 14-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21159
Hazard Classes and CategoriesAcute Tox. 4 (70.9%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (83.6%)；Resp. Sens. 1 (70.9%)；STOT SE 3 (81.8%)
규제 정보
Regulatory InformationStatus: Cease Manufacture Update: 14-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21159
안전 데이터
화학 및 산업
응용 분야
용도1-Bromo-4-(trifluoromethoxy)benzene was used in the synthesis of 4-{[4-[(2-ethylhexyloxy)-6-(4-morpholinylmethyl)-4-trifluoromethyl][1,1-biphenyl]-3-yl]methyl}morpholine.
일반 설명1-Bromo-4-(trifluoromethoxy)benzene on treatment with lithium diisopropylamide (LIDA) at -100°C gives 5-bromo-2-(trifluoromethoxy)phenyllithium and at -75°C it eliminates lithium bromide, thus generating 1,2-dehydro-4-(trifluoromethoxy)benzene.
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