기본 정보
- CAS
103273-01-4- 표준 SMILES
CC(C)(C)c1ccc(N)c(Br)c1- InChIKey
OLKYFBNIFKQRIZ-UHFFFAOYSA-N- 분자식
- C10H14BrN
- 평균 분자량
- 228.13 g/mol
- 단동위원소 질량
- 227.03096
이름 및 식별자
- 우선 이름
- 2-Bromo-4-(tert-butyl)aniline
- IUPAC
- 2-bromo-4-tert-butylaniline
- 현지명
- 2-브로모-4-TERT-부틸라니린
- 영어명
- 2-Bromo-4-tert-butylaniline
- 분자식
- C10H14BrN
- 분자량
- 228.13
이름 및 동의어
2-Bromo-4-(tert-butyl)anilineRefChem:466458674-463-82-bromo-4-tert-butylaniline103273-01-42-bromo-4-tert-butyl-phenylamineMFCD000526932-bromo-4-tert-butylphenylamineNSC43041Benzenamine, 2-bromo-4-(1,1-dimethylethyl)-SCHEMBL3962152-bromo-4-(tertbutyl)aniline
이름 더 보기
2-브로모-4-TERT-부틸라니린1-Amino-2-brom-4-tert-butylbenzol1-Amino-2-bromo-4-(tert-butyl)benzene2-Bromo-4-(1,1-dimethylethyl)benzenamineBenzenamine,2-bromo-4-(1,1-dimethylethyl)-
DTXSID90285864NSC-43041EN300-1103032-Bromo-4-tertbutylaniline2-bromo-4-tert-butyl-anilineBUTTPARK 83\07-24FT-06425262-bromo-4-t-butyl aniline
데이터베이스 식별자
- CAS
103273-01-4- PubChem CID
- 238591
- DTXSID
DTXSID90285864- EC Number
- 674-463-8
- Nikkaji
- J1.673.481K
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 26 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 150
물리화학적 성질
- 끓는 점
- 265 °C · 265°C(lit.)
- 밀도
- 1.306 · 1.306±0.06 g/cm3(Predicted)
- 굴절률
- 1.568 to · 1.5680 to 1.5720
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 산도 계수 (pKa)
- 2.86 · 2.86±0.10(Predicted)
- 물리적 상태
- 투명한 액체
- 색상
- Colorless to Red to Green
- InChI
- InChI=1S/C10H14BrN/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6H,12H2,1-3H3
- InChIKey
- OLKYFBNIFKQRIZ-UHFFFAOYSA-N
- SMILES
- C1(N)=CC=C(C(C)(C)C)C=C1Br
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): 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 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (66.7%): 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 3 reports by companies from 3 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
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)；Acute Tox. 4 (33.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (33.3%)；STOT SE 3 (66.7%)
안전 데이터
- HS 번호
- 2921490090
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
화학 및 산업
응용 분야
용도2-Bromo-4-tert-butylaniline is commonly employed in organic synthesis for the production of various compounds, including 8-Bromo-6-tert-butylquinoline. It can also be used in the production of dyes and pigments, pharmaceutical intermediates, and agrochemicals.
상·하류 제품 정보
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하류 제품
공급사100 곳
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