기본 정보
- CAS
19788-35-3- 표준 SMILES
COC(=O)c1cc(C)on1- InChIKey
MVHHQOCEOUNTID-UHFFFAOYSA-N- 분자식
- C6H7NO3
- 평균 분자량
- 141.12 g/mol
- 단동위원소 질량
- 141.04259309
이름 및 식별자
- 우선 이름
- Methyl 5-methylisoxazole-3-carboxylate
- IUPAC
- methyl 5-methyl-1,2-oxazole-3-carboxylate
- 현지명
- 메틸5-메틸이속사졸-3-카르복실레이트
- 영어명
- Methyl 5-methylisoxazole-3-carboxylate
- 분자식
- C6H7NO3
- 분자량
- 141.12
이름 및 동의어
Methyl 5-methylisoxazole-3-carboxylate19788-35-33-Isoxazolecarboxylic acid, 5-methyl-, methyl esterMethyl 5-methyl-3-isoxazolecarboxylate5-methylisoxazole-3-carboxylic acid methyl esterWKN4V23WWZEINECS 243-311-9DTXSID90173494RefChem:817145DTXCID3095985243-311-9methyl 5-methyl-1,2-oxazole-3-carboxylate
이름 더 보기
메틸5-메틸이속사졸-3-카르복실레이트BUTTPARK 48\06-49Leflunomide Related CompoundMETHYL 5-5ETHYLISOXAZOLE-3-CARBOXYLATEMETHYL 5-METHYLISOXAZOLYL-3-CARBOXYLATEMethyl 5-methylisoxazole-3-carboxylate,98%Methyl 5-methylisoxazole-3-carboxylate-97%
MFCD00015895Isocarboxazid Impurity 1UNII-WKN4V23WWZMethyl 5-methyl-3-isoxazole carboxylate5-methyl-3-isoxazolecarboxylic acid methyl esterMethyl 5-methyl-3-isoxazolecarboxylate #SY011581EN300-15450
데이터베이스 식별자
- CAS
19788-35-3- PubChem CID
- 88245
- DTXSID
DTXSID90173494- UNII
- WKN4V23WWZ
- EC Number
- 243-311-9
- Nikkaji
- J110.589B
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 52.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 137
물리화학적 성질
- 녹는점
- 90 · 90-92 °C
- 끓는 점
- 125 °C · 125°C 11mm
- 밀도
- 1.179 · 1.179±0.06 g/cm3(Predicted)
- 인화점
- 125 °C/11mm · 125°C/11mm
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- -5.08 · -5.08±0.50(Predicted)
- 색상
- 흰색에서 황백색까지
- BRN
- 115704 · 115704
- InChI
- InChI=1S/C6H7NO3/c1-4-3-5(7-10-4)6(8)9-2/h3H,1-2H3
- InChIKey
- MVHHQOCEOUNTID-UHFFFAOYSA-N
- SMILES
- O1C(C)=CC(C(OC)=O)=N1
- NIST
- 3 · 3-Isoxazolecarboxylic acid, 5-methyl-, methyl ester(19788-35-3)
화학적 성질
white to off-white crystalline powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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
Regulatory InformationChemical: 3-Isoxazolecarboxylic acid, 5-methyl-, methyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- WGK 3
- HS 번호
- 29349990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25-36-26
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Methyl 5-Methyl-3-isoxazolecarboxylate is a related compound of Leflunomide (L322750), an antirheumatic compound used to treat rheumatoid arthritis and psoriatic arthritis. Leflunomide also inhibits dihydroorotate dehydrogenase.
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
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