기본 정보
- CAS
17289-19-9- 표준 SMILES
COC(=O)c1cn(C)cn1- InChIKey
KZPZTVKOJSKVBV-UHFFFAOYSA-N- 분자식
- C6H8N2O2
- 평균 분자량
- 140.14 g/mol
- 단동위원소 질량
- 140.0585775
이름 및 식별자
- 우선 이름
- Methyl 1-methyl-1H-imidazole-4-carboxylate
- IUPAC
- methyl 1-methylimidazole-4-carboxylate
- 현지명
- 1-METHYL-1H-IMIDAZOLE-4-CARBOXYLICACID메틸에스테르
- 영어명
- 1-Methyl-1H-imidazole-4-carboxylic acid methyl ester
- 분자식
- C6H8N2O2
- 분자량
- 140.14
이름 및 동의어
17289-19-9METHYL 1-METHYL-1H-IMIDAZOLE-4-CARBOXYLATEDTXSID50378509RefChem:157149DTXCID50329536640-228-3methyl 1-methylimidazole-4-carboxylate1-Methyl-1H-Imidazole-4-Carboxylic Acid Methyl EsterMFCD02179561METHYL1-METHYL-1H-IMIDAZOLE-4-CARBOXYLATEmethyl 1-methylimidazol-4-carboxylateCS-W023129
이름 더 보기
1-METHYL-1H-IMIDAZOLE-4-CARBOXYLICACID메틸에스테르1,2-diMethyl-1H-iMidazole-4-carboxylic acidMETHYL 1-METHYL-1H-IMIDAZOLE-CARBOXYLATE4-(Methoxycarbonyl)-1-methyl-1H-imidazoleMethyl-N-methylimidazole-4-carboxylic acid1-METHYL-IMIDAZOLE-4-CARBOXYLIC ACID METHYL ESTER1H-IMidazole-4-carboxylic acid 1-Methyl Methyl ester
methyl (1-n-methyl)imidazole-4-carboxylateF6782-42291H-Imidazole-4-carboxylic acid, 1-methyl-, methyl esterSCHEMBL1613089SCHEMBL1824295KZPZTVKOJSKVBV-UHFFFAOYSA-NSBB068602VT1447
데이터베이스 식별자
- CAS
17289-19-9- PubChem CID
- 2773510
- DTXSID
DTXSID50378509- EC Number
- 640-228-3
- Nikkaji
- J3.019.846H
물성
구조 계산 물성
- XLogP
- 0.2
- 극성 표면적
- 44.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 138
물리화학적 성질
- 녹는점
- 102 · 102-103°C
- 끓는 점
- 285 ℃ · 285℃
- 밀도
- 1.18 · 1.18
- 인화점
- 126 ℃ · 126℃
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- 결정성 분말
- 산도 계수 (pKa)
- 3.37 · 3.37±0.61(Predicted)
- 색상
- 회백색
- InChI
- InChI=1S/C6H8N2O2/c1-8-3-5(7-4-8)6(9)10-2/h3-4H,1-2H3
- InChIKey
- KZPZTVKOJSKVBV-UHFFFAOYSA-N
- SMILES
- C1N(C)C=C(C(OC)=O)N=1
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
- 2933299090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- 위험 참고 사항
- Irritant
화학 및 산업
응용 분야
용도1-Methyl-1H-imidazole-4-carboxylic acid is an imidazole derivative. As a crucial compound, it could be used as a pharmaceutical intermediate in pharmaceutical synthesis and scientific research.
공급사99 곳
Zhengzhou Anhuida Chemical Co., Ltd+86-15903659408 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
邹平创新药业有限公司13561560789 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
清宁生物（江苏博泉生物科技有限公司）王 19352250998 13160238781 · [email protected]
斯芬克司药物研发（天津）股份有限公司022-66211289-818 13652044576 · [email protected]
西安华瑞致远生物科技有限公司18112972000 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海药诚医药科技合伙企业（有限合伙）400-6181121 18616381138 · [email protected]
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