1-브로모-4-터셔리-부틸벤젠
1-Bromo-4-tert-butylbenzene
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기본 정보
- CAS
3972-65-4- 표준 SMILES
CC(C)(C)c1ccc(Br)cc1- InChIKey
XHCAGOVGSDHHNP-UHFFFAOYSA-N- 분자식
- C10H13Br
- 평균 분자량
- 213.11 g/mol
- 단동위원소 질량
- 212.02006
이름 및 식별자
- 우선 이름
- 1-Bromo-4-tert-butylbenzene
- IUPAC
- 1-bromo-4-tert-butylbenzene
- 현지명
- 1-브로모-4-터셔리-부틸벤젠
- 영어명
- 1-Bromo-4-tert-butylbenzene
- 분자식
- C10H13Br
- 분자량
- 213.11
이름 및 동의어
1-Bromo-4-tert-butylbenzene3972-65-41-Bromo-4-(1,1-dimethylethyl)benzeneDTXSID70192805RefChem:430539DTXCID70115296223-599-21-Bromo-4-(tert-butyl)benzene4-tert-Butylbromobenzene1-Bromo-4-Tert-ButYl-BenzeneMFCD00000108p-Bromo-tert-butylbenzene
이름 더 보기
1-브로모-4-tert-뷰틸벤젠1-브로모-4-터셔리-부틸벤젠p-tert-Butylphenyl bromide1-tert-Butyl-4-BromobenzeneBUTYLBROMOBENZENE
4-Bromo-tert-butylbenzene1-Bromo-4-t-butylbenzene4-tert-Butyl-1-bromobenzeneBenzene, 1-bromo-4-(1,1-dimethylethyl)-p-Bromo-t-butylbenzene4-t-Butylbromobenzene4-Bromo-t-butylbenzenep-tert-Butylbromobenzene
데이터베이스 식별자
- CAS
3972-65-4- PubChem CID
- 77595
- DTXSID
DTXSID70192805- EC Number
- 223-599-2
- Nikkaji
- J217.803F
물성
구조 계산 물성보충 중
- XLogP
- 4.4
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 115
물리화학적 성질
- 녹는점
- 13 · 13-16 °C(lit.)
- 끓는 점
- 80 · 80-81 °C2 mm Hg(lit.)
- 밀도
- 1.229 g/mL · 1.229 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.533(lit.)
- 인화점
- 97 °C · 97 °C
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- 액체
- 색상
- 무색투명~미황색
- Specific Gravity
- 1.229 · 1.229
- 수용성
- 물에 불용성.
- BRN
- 1859117 · 1859117
- InChI
- InChI=1S/C10H13Br/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3
- InChIKey
- XHCAGOVGSDHHNP-UHFFFAOYSA-N
- SMILES
- C1(Br)=CC=C(C(C)(C)C)C=C1
- NIST
- 1 · Benzene, 1-bromo-4-(1,1-dimethylethyl)-(3972-65-4)
화학적 성질
clear colorless to slightly yellow liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (10%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (10%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (10%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (90%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 10 reports by companies from 6 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 Information4-Bromo-t-butylbenzene: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (10%)；Acute Tox. 4 (10%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (10%)；STOT SE 3 (90%)
규제 정보
Regulatory Information4-Bromo-t-butylbenzene: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
화학 및 산업
응용 분야
용도1-Bromo-4-tert-butylbenzene was used in the synthesis of 4-tert-butyl-phenylboronic acid1, 1-deoxy analogs of CP-47,497 (n = 0 to 7) and 1-deoxy analogs of CP-55,940 (n = 0 to 7). It undergoes lithium-bromide exchange reactions with n-butyllithium and tert-butyllithium at 0°C in various solvents.
일반 설명1-Bromo-4-tert-butylbenzene undergoes lithium-bromide exchange reactions with n-butyllithium and tert-butyllithium at 0°C in various solvents.
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