1-Bromo-4-(trifluoromethoxy)benzene (HCID 521008)

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 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: 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

GHS 분류

GHS Classification · 5건

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

wgk: 1
ridadr: UN 3082 9/PG 3
독성: LD50 orally in Rabbit: > 2500 mg/kg
HS 번호: 29093090
risk_code: 22-36/37/38-43-51/53
hazard_code: Xn,N,Xi
safety_code: 26-36/37-61-37/39-36
위험 등급: IRRITANT
Hazard Classifications: Skin Irrit. 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

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.