기본 정보
- CAS
112110-16-4- 표준 SMILES
COC(=O)c1cc(C)cnc1C(=O)OC- InChIKey
MKOJTLPEGLTEFM-UHFFFAOYSA-N- 분자식
- C10H11NO4
- 평균 분자량
- 209.2 g/mol
- 단동위원소 질량
- 209.06880783
이름 및 식별자
- 우선 이름
- 2,3-Pyridinedicarboxylic acid, 5-methyl-, 2,3-dimethyl ester
- IUPAC
- dimethyl 5-methylpyridine-2,3-dicarboxylate
- 현지명
- 5-메틸피리딘-2,3-디카르복실산디메틸에스테르
- 영어명
- 5-Methylpyridine-2,3-dicarboxylic acid dimethyl ester
- 분자식
- C10H11NO4
- 분자량
- 209.2
이름 및 동의어
Dimethyl 5-methylpyridine-2,3-dicarboxylate112110-16-42,3-Pyridinedicarboxylic acid, 5-methyl-, 2,3-dimethyl esterDTXSID10888856RefChem:442628DTXCID501028127601-161-5MFCD056624245-Methylpyridine-2,3-dicarboxylic acid dimethyl ester2,3-Pyridinedicarboxylic acid, 5-methyl-, dimethyl ester5-methylpyrididimethyl 5-methyl-2,3-pyridinedicarboxylate
이름 더 보기
5-메틸피리딘-2,3-디카르복실산디메틸에스테르Dimethyl 3-methylpyridine-5,6-dicarboxylate5-Methylpyridine-2,3-dicarboxylicaciddiester5-Methylpyridine-2,3-Dicarboxylic Acid Dimethyl EsterrDimethyl 5-methylpyridine-2,3-dicarboxylate 112110-16-4
5-Methyl-2,3-pyridinedicarboxylic acid dimethyl esterDimethyl5-methylpyridine-2,3-dicarboxylateSCHEMBL2487068SCHEMBL29833413AKOS027393732DS-18779SY120929dimethyl 5-methyl-2,3pyridinedicarboxylate
데이터베이스 식별자
- CAS
112110-16-4- PubChem CID
- 11745869
- DTXSID
DTXSID10888856- EC Number
- 601-161-5
- Nikkaji
- J637.344E
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 65.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 254
실험 및 물리화학적 성질
Physical DescriptionDry Powder
물리화학적 성질
- 녹는점
- 45 · 45-50°C
- 끓는 점
- 292.2 · 292.2±35.0 °C(Predicted)
- 밀도
- 1.197 · 1.197
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 클로로포름, DMSO(약간), 메탄올(약간)에 용해됨
- 산도 계수 (pKa)
- -0.54 · -0.54±0.10(Predicted)
- 물리적 상태
- 고체
- 색상
- 회백색
- InChI
- InChI=1S/C10H11NO4/c1-6-4-7(9(12)14-2)8(11-5-6)10(13)15-3/h4-5H,1-3H3
- InChIKey
- MKOJTLPEGLTEFM-UHFFFAOYSA-N
- SMILES
- C1(C(OC)=O)=NC=C(C)C=C1C(OC)=O
- EPA
- 2 · 2,3-Pyridinedicarboxylic acid, 5-methyl-, 2,3-dimethyl ester (112110-16-4)
화학적 성질
White or of- white powder or crystlline power,odorless.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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
Regulatory Information
2,3-Pyridinedicarboxylic acid, 5-methyl-, 2,3-dimethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,3-Pyridinedicarboxylic acid, 5-methyl-, 2,3-dimethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: Dimethyl 5-methylpyridine-2,3-dicarboxylate (EC: 601-161-5)
Hazard Classes and CategoriesEye Irrit. 2 (100%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
U.S. Production2023: <50,000 lb
General Manufacturing Information2,3-Pyridinedicarboxylic acid, 5-methyl-, 2,3-dimethyl ester: ACTIVE
상·하류 제품 정보
하류 제품
공급사100 곳
陕西格列弗生物科技研究有限责任公司18409274651; 13892423764 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
邹平铭远进出口贸易有限公司18364991597 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
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