ethyl 4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
기본 정보
- CAS
20481-15-6- 표준 SMILES
CCOC(=O)c1cnc2c(c(C)nn2C)c1Cl- InChIKey
QJXXEUYFFZWYCX-UHFFFAOYSA-N- 분자식
- C11H12ClN3O2
- 평균 분자량
- 253.68 g/mol
- 단동위원소 질량
- 253.0618043
이름 및 식별자
- 우선 이름
- ethyl 4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
- IUPAC
- ethyl 4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
- 영어명
- Ethyl 4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
- 분자식
- C11H12ClN3O2
- 분자량
- 253.69
이름 및 동의어
20481-15-6ethyl 4-chloro-1,3-dimethyl-1h-pyrazolo[3,4-b]pyridine-5-carboxylateDTXSID20371320ethyl 4-chloro-1,3-dimethyl-1H-pyrazolo(3,4-b)pyridine-5-carboxylateRefChem:343878DTXCID40322354673-095-5ethyl 4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylateMFCD000679541H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, 4-chloro-1,3-dimethyl-, ethyl esterEthyl 4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine 5-carboxylateETHYL4-CHLORO-1,3-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE
이름 더 보기
Ethyl 4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine4-chloro-5-ethyl-1,3-dimethylpyrazolo[3,4-b]pyridineethyl 4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-car...ETHYL 4-CHLORO-5,7-DIMETHYLPYRAZOLO(3,4-B)PYRIDINE-3-CARBOXYLATEethyl 4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylatEthyl 4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate ,97%
4-Chloro-1,3-Dimethyl-1H-Pyrazolo[3,4-B]Pyridine-5-Carboxylic Acid Ethyl EsterSCHEMBL583418BUTTPARK 30\08-33QJXXEUYFFZWYCX-UHFFFAOYSA-NSBB101302AKOS025117210PB184411H-Pyrazolo[3,4-b]pyridine-5-carboxylicacid, 4-chloro-1,3-dimethyl-, ethyl ester
데이터베이스 식별자
- CAS
20481-15-6- PubChem CID
- 2736380
- DTXSID
DTXSID20371320- EC Number
- 673-095-5
- Nikkaji
- J2.079.858K
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 57 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 302
물리화학적 성질
- 녹는점
- 89 · 89-90°C
- 끓는 점
- 356 · 356.0±37.0 °C(Predicted)
- 밀도
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.74 · 1.74±0.30(Predicted)
화학적 성질
Ginger solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
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.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (50%)
안전 데이터
- HS 번호
- 29331990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- 위험 참고 사항
- Irritant
화학 및 산업
상·하류 제품 정보
상류 원료
관련 반응
15건
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