tert-butyl 3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylate
기본 정보
- CAS
1022931-73-2- 표준 SMILES
CC(C)(C)OC(=O)N1CCc2[nH]nc(C(F)(F)F)c2C1- InChIKey
MQTQWJKOXQOZDC-UHFFFAOYSA-N- 분자식
- C12H16F3N3O2
- 평균 분자량
- 291.27 g/mol
- 단동위원소 질량
- 291.11946125
이름 및 식별자
- 우선 이름
- tert-butyl 3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylate
- IUPAC
- tert-butyl 3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
- 영어명
- tert-Butyl 3-(trifluoromethyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate
- 분자식
- C12H16F3N3O2
- 분자량
- 291.27
이름 및 동의어
tert-butyl 3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylatetert-butyl 3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo(4,3-c)pyridine-5-carboxylateRefChem:893165691-440-81022931-73-2tert-butyl 3-(trifluoromethyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylateMFCD11044975tert-Butyl 3-(trifluoromethyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate5H-Pyrazolo[4,3-c]pyridine-5-carboxylic acid, 1,4,6,7-tetrahydro-3-(trifluoromethyl)-, 1,1-dimethylethyl ester3-Trifluoromethyl-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl estertert-butyl 3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate3-Trifluoromethyl-2,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester
이름 더 보기
3-(Trifluoromethyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyr5-Boc-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine5-N-Boc-3-Trifluoromethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridinetert-butyl 3-(trifluoroMethyl)-1H,4H,5H,6H,7H- pyrazolo[4,3-c]pyridine-5-carboxylatetert-butyl 3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylate - [B81129]3-(Trifluoromethyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-carboxylic acid tert-butyl ester
5-tert-butoxycarbonyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridineSCHEMBL1009435DTXSID10718306tert-butyl 3-(trifluoromethyl)-6,AKOS015991497KF-07164,5,6,7-Tetrahydro-3-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridine, N5-BOC protected4,5,6,7-Tetrahydro-3-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridine, N5-BOC protected
데이터베이스 식별자
- CAS
1022931-73-2- PubChem CID
- 56773879
- DTXSID
DTXSID10718306- EC Number
- 691-440-8
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 58.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 381
물리화학적 성질
- 저장 조건
- 2 · Storage temp. 2-8°C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- HS 번호
- 2933998090
관련 반응
1건
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