TERT-부틸2-니트로-4-(트리플루오로메틸)페닐카바메이트

1,1-Dimethylethyl N-[4-(trifluoromethyl)phenyl]carbamate

HCID 11230745

기본 정보

CAS
141940-37-6
표준 SMILES
CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1
InChIKey
FZVYCWGVGYAURC-UHFFFAOYSA-N
분자식
C12H14F3NO2
평균 분자량
261.24 g/mol
단동위원소 질량
261.09766335

이름 및 식별자

우선 이름
1,1-Dimethylethyl N-[4-(trifluoromethyl)phenyl]carbamate
IUPAC
tert-butyl N-[4-(trifluoromethyl)phenyl]carbamate
현지명
TERT-부틸2-니트로-4-(트리플루오로메틸)페닐카바메이트
영어명
TERT-BUTYL 2-NITRO-4-(TRIFLUOROMETHYL)PHENYLCARBAMATE
분자식
C12H14F3NO2
분자량
261.24

이름 및 동의어

141940-37-61,1-Dimethylethyl N-[4-(trifluoromethyl)phenyl]carbamate1,1-Dimethylethyl N-(4-(trifluoromethyl)phenyl)carbamateRefChem:214020Tert-butyl N-[4-(trifluoromethyl)phenyl]carbamatetert-Butyl (4-(trifluoromethyl)phenyl)carbamateTERT-BUTYL 4-(TRIFLUOROMETHYL)PHENYLCARBAMATEMFCD09859792Carbamic acid, N-[4-(trifluoromethyl)phenyl]-, 1,1-dimethylethyl estertert-Butyl 4-(trifluoromethyl)-phenylcarbamateCarbamic acid, [4-(trifluoromethyl)phenyl]-, 1,1-dimethylethyl estertert-butyl[4-(trifluoromethyl)phenyl]carbamate
이름 더 보기
TERT-부틸2-니트로-4-(트리플루오로메틸)페닐카바메이트N-Boc-4-(trifluoromethyl)aniline4-(trifluoromethyl)phenylcarbamatet-Butyl 4-(trifluoromethyl)phenylcarbamateTERT-BUTYL 2-NITRO-4-(TRIFLUOROMETHYL)PHENYLCARBAMATE
tert-butyl [4-(trifluoromethyl)phenyl]carbamatetert-Butyl(4-(trifluoromethyl)phenyl)carbamateN-(tert-Butoxycarbonyl)-4-(trifluoromethyl)anilineN-BOC-4-TRIFLUOEMETHYLANILINE4-(boc-amino)benzotrifluorideSCHEMBL1138925SCHEMBL4422986CHEMBL4103407

데이터베이스 식별자

CAS
141940-37-6
PubChem CID
11230745
DTXSID
DTXSID401199654
ChEMBL
CHEMBL4103407
Nikkaji
J1.744.978H

물성

구조 계산 물성

XLogP
3.9
극성 표면적
38.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
3
무거운 원자 수
18

물리화학적 성질

녹는점
123 · 123-124 °C
끓는 점
249.4 · 249.4±40.0 °C(Predicted)
밀도
1.232 · 1.232±0.06 g/cm3(Predicted)
저장 조건
2 · Storage temp. 2-8°C
산도 계수 (pKa)
13.15 · 13.15±0.70(Predicted)

안전 및 규제

안전 데이터

HS 번호
2924297099

화학 및 산업

공급사29 곳

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]

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