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
- 형식 전하
- 0
- 복잡도
- 289
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
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