기본 정보
- CAS
579474-47-8- 표준 SMILES
CC(C)(C)OC(=O)Nc1ccc(F)cc1N- InChIKey
IBKSOWUYKOORFF-UHFFFAOYSA-N- 분자식
- C11H15FN2O2
- 평균 분자량
- 226.25 g/mol
- 단동위원소 질량
- 226.11175589
이름 및 식별자
- 우선 이름
- N1-(tert-Butoxycarbonyl)-4-fluoro-1,2-phenylenediamine
- IUPAC
- tert-butyl N-(2-amino-4-fluorophenyl)carbamate
- 현지명
- (2-아미노-4-FLUORO-PHENYL)-탄소산TERT-BUTYL에스테르
- 영어명
- (2-AMINO-4-FLUORO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER
- 분자식
- C11H15FN2O2
- 분자량
- 226.25
이름 및 동의어
N1-(tert-Butoxycarbonyl)-4-fluoro-1,2-phenylenediamineRefChem:831425810-923-8579474-47-8tert-Butyl 2-Amino-4-fluorophenylcarbamatetert-Butyl (2-amino-4-fluorophenyl)carbamatetert-butyl N-(2-amino-4-fluorophenyl)carbamate(2-AMINO-4-FLUORO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTERMFCD09701246tert-Butyl N-(2-amino-4-fluoro-phenyl)carbamatetert-Butyl2-amino-4-fluorophenylcarbamateSCHEMBL197145
이름 더 보기
(2-아미노-4-FLUORO-PHENYL)-탄소산TERT-BUTYL에스테르Carbamic acid, N-(2-amino-4-fluorophenyl)-, 1,1-dimethylethyl ester
SCHEMBL29581478(2-AMINO-4-fluorophenyl)carbaMIC ACID TERT-BUTYL ESTERDTXSID00640708IBKSOWUYKOORFF-UHFFFAOYSA-NN1-Boc-4-fluorobenzene-1,2-diamineAKOS000163987GS-4127N1-Boc-4-fluoro-1,2-phenylenediamine
데이터베이스 식별자
- CAS
579474-47-8- PubChem CID
- 24688763
- DTXSID
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 64.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 253
물리화학적 성질
- 녹는점
- 135 to · 135.0 to 139.0 °C
- 끓는 점
- 281 · 281.0±30.0 °C(Predicted)
- 밀도
- 1.223 · 1.223±0.06 g/cm3(Predicted)
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨, 가열)
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 12.45 · 12.45±0.70(Predicted)
- 색상
- White to Light yellow to Light orange
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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, 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 2 reports by companies from 2 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 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (50%)
안전 데이터
- HS 번호
- 2921.51.5000
- risk_code
- 22
- hazard_code
- Xn
화학 및 산업
상·하류 제품 정보
상류 원료
공급사59 곳
上海康恩博医药科技有限公司17510465506 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
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