기본 정보
- CAS
7554-65-6- 표준 SMILES
Cc1cn[nH]c1- InChIKey
RIKMMFOAQPJVMX-UHFFFAOYSA-N- 분자식
- C4H6N2
- 평균 분자량
- 82.1 g/mol
- 단동위원소 질량
- 82.0530982
이름 및 식별자
- 우선 이름
- 4-Methylpyrazole
- IUPAC
- 4-methyl-1H-pyrazole
- 현지명
- 4-메틸피라졸
- 영어명
- 4-Methylpyrazole
- 분자식
- C4H6N2
- 분자량
- 82.1
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
7554-65-6- PubChem CID
- 3406
- DTXSID
DTXSID3040649- ChEMBL
CHEMBL1308- ChEBI
CHEBI:5141- UNII
- 83LCM6L2BY
- EC Number
- 231-445-0
- Nikkaji
- J35.396E
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 28.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 44
물리화학적 성질
- 녹는점
- 13 °C · 13°C
- 끓는 점
- 99 · 99-100 °C6 mm Hg(lit.)
- 밀도
- 0.993 g/mL · 0.993 g/mL at 25 °C(lit.)
- 증기압
- 7.136 · 7.136-87.85Pa at 20-50℃
- 굴절률
- 20 · n20/D 1.495(lit.)
- 인화점
- 205 °F · 205 °F
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- 쉽게 용해됨
- 산도 계수 (pKa)
- 14.95 · 14.95±0.50(Predicted)
- 물리적 상태
- 녹은 후에 액체
- 색상
- 무색~황색으로 투명함
- Specific Gravity
- 0.993 · 0.993
- 수용성
- 녹는
- Merck
- 14 · 14,4226
- BRN
- 105204 · 105204
- InChI
- 1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)
- InChIKey
- RIKMMFOAQPJVMX-UHFFFAOYSA-N
- SMILES
- Cc1cn[nH]c1
- LogP
- 1.097 · 1.097 (est)
- NIST
- 4 · 4-methylpyrazole(7554-65-6)
화학적 성질
clear colourless to yellowish liquid after melting
안전 및 규제
안전 데이터
- wgk
- 3
- rtecs
- UQ7350000
- ridadr
- 2810
- 독성
- LD50 (7 days) in mice, rats (mmol/kg): 3.8, 3.8 i.v.; 7.8, 6.5 orally (Magnusson)
- HS 번호
- 29331990
- risk_code
- 22-36/37/38
- hazard_code
- Xn
- safety_code
- 26-36-24/25
- 포장분류
- III
- 위험 등급
- 6.1(b)
- F 고인화성물질
- 10-23
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
개요Fomepizole is the first drug indicated as an antidote for ethylene glycol poisoning (it has also shown promise as a treatment for methanol poisoning). Fomepizole is 4-methyl-1H-pyrazole active as a synthetic alcohol dehydrogenase inhibitor, blocking the formation of toxic ethylene glycol metabolites which are responsible for a severe metabolic acidosis and renal failure. In limited human studies, it reversed the toxicity of potentially lethal doses of ethylene glycol. The main urinary metabolite has been reported to be 4-carboxypyrazole by oxidation of the methyl group. Compared with the current treatment (ethanol), the duration of action is longer and the safety is improved, with no toxic effects reported.
용도Fomepizole (4-Methylpyrazole) can be used as: A reactant to prepare 4-methyl-1-phenyl-1H-pyrazole by reacting with bromobenzene via N-arylation using a copper catalyst. A starting material for the synthesis of 4-methyl-3(5)-nitropyrazole by nitration. A ligand in the preparation of gallium(III) complex of 4-methylpyrazole as potential antitumor and antiviral agent.
일반 설명4-Methylpyrazole inhibits CYP2E1 activity. It also acts as alcohol dehydrogenase inhibitor.
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
추가 설명
정의ChEBI: A member of the class of pyrazoles that is 1H-pyrazole substituted by a methyl group at position 4.
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