기본 정보
- CAS
176969-34-9- 표준 SMILES
Cn1cc(C(=O)O)c(C(F)F)n1- InChIKey
RLOHOBNEYHBZID-UHFFFAOYSA-N- 분자식
- C6H6F2N2O2
- 평균 분자량
- 176.12 g/mol
- 단동위원소 질량
- 176.03973387
이름 및 식별자
- 우선 이름
- 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
- IUPAC
- 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid
- 현지명
- 3-(디플루오로메틸)-1-메틸-1H-피라졸-4-카르복실산
- 영어명
- 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
- 분자식
- C6H6F2N2O2
- 분자량
- 176.12
이름 및 동의어
176969-34-93-(DIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID3-difluoromethyl-1-methylpyrazole-4-carboxylic acid3-Difluoromethyl-1-methyl-1H-pyrazol-4-carboxylic acidUNII-20527OAN5620527OAN56DTXSID80597105EC 700-093-4Fluxapyroxad (BAS 700 F)-TP CSAA798670RefChem:92617DTXCID60547865700-093-4
이름 더 보기
3-(디플루오로메틸)-1-메틸-1H-피라졸-4-카르복실산3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxyl1-methyl-3-(difluoromethyl)-1H-pyrazole-4-carboxylic acid1H-Pyrazole-4-carboxylicacid, 3-(difluoroMethyl)-1-Methyl-Fluxypyroxad Metabolite M700F001Difluoro-pyrazole-carboxylic acid2,3-Difluoropyrazole-4-carboxylicacid3-(difluoromethyl)-1-methylpyrazole-4-carboxylicaci
1H-Pyrazole-4-carboxylic acid, 3-(difluoromethyl)-1-methyl-MFCD118652673-(DIFLUOROMETHYL)-1-METHYLPYRAZOLE-4-CARBOXYLIC ACIDSCHEMBL20141Fluxapyroxad metabolite M700F001D4949Z12553917693-difluoromethyl-1-methyl-1H-pyrazol-4-ylcarboxylic acid
데이터베이스 식별자
- CAS
176969-34-9- PubChem CID
- 18983008
- DTXSID
DTXSID80597105- UNII
- 20527OAN56
- EC Number
- 700-093-4
- Nikkaji
- J2.629.165H
물성
구조 계산 물성
- XLogP
- 0.4
- 극성 표면적
- 55.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 188
실험 및 물리화학적 성질
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
물리화학적 성질
- 녹는점
- 201 · 201-203°C
- 끓는 점
- 315.9 · 315.9±42.0 °C(Predicted)
- 밀도
- 1.52 · 1.52
- 증기압
- 0 · 0-0.397Pa at 20-99.7℃
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 3.12 · 3.12±0.36(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- InChI
- InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)
- InChIKey
- RLOHOBNEYHBZID-UHFFFAOYSA-N
- SMILES
- N1(C)C=C(C(O)=O)C(C(F)F)=N1
- LogP
- -2.2 · -2.2-0.64 at 20-23℃ and pH2-7.1
- 표면장력
- 70.7 mN/m · 70.7mN/m at 1g/L and 20℃
- EPA
- 1 H-Pyrazole-4-carboxylic · 1H-Pyrazole-4-carboxylic acid, 3-(difluoromethyl)-1-methyl- (176969-34-9)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 96.8% (149 of 154) of all reports.
Not Classified
Aggregated GHS information provided per 154 reports by companies from 6 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Regulation (EC) No 1107/2009 (amended)
Status: Active Update: 09-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/1969
Hazard Classes and CategoriesNot Classified
안전 데이터
- HS 번호
- 2933199090
화학 및 산업
용도 및 제조
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
응용 분야
용도3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic Acid can be used to prepare pesticides.
상·하류 제품 정보
하류 제품
공급사100 곳
上海恩氟佳科技有限公司15800445152 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
信联瑞生物医药科技（山东）有限公司0531-84567878 15153173989
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