1-브로모-4-터셔리-부틸벤젠

1-Bromo-4-tert-butylbenzene

HCID 77595CAS 3972-65-4
부분 구조 검색유사 구조 찾기

기본 정보

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 물성

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

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

화학적 성질

clear colorless to slightly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

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

wgk
3
HS 번호
29036990
risk_code
36/37/38
hazard_code
Xi
safety_code
23-24/25-37/39-26
위험 등급
IRRITANT

화학 및 산업

응용 분야 · 2건

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.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
中节能万润股份有限公司0535-6101880 · [email protected]

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