1-메틸-3-(트리플루오로메틸)-1H-피라졸-4-카르복실산

1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

HCID 2775665
노트반응
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기본 정보

CAS
113100-53-1
표준 SMILES
Cn1cc(C(=O)O)c(C(F)(F)F)n1
InChIKey
FZNKJQNEJGXCJH-UHFFFAOYSA-N
분자식
C6H5F3N2O2
평균 분자량
194.11 g/mol
단동위원소 질량
194.03031206

이름 및 식별자

우선 이름
1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
IUPAC
1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
현지명
1-메틸-3-(트리플루오로메틸)-1H-피라졸-4-카르복실산
영어명
1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
분자식
C6H5F3N2O2
분자량
194.11

이름 및 동의어

113100-53-11-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acidDTXSID20379644RefChem:76265DTXCID80330670601-232-01-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic Acid3-(Trifluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acidMFCD019360051-methyl-3-trifluoromethyl-4-pyrazolecarboxylic acid1-methyl-3-trifluoromethyl-1h-pyrazole-4-carboxylic acidPenthiopyrad metabolite PCA
이름 더 보기
1-메틸-3-(트리플루오로메틸)-1H-피라졸-4-카르복실산1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-carboxylic acid-3-(trifL)-1H-pyrazoLBUTTPARK 99\18-241H-Pyrazole-4-carboxylic acid, 1-methyl-3-4-Carboxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxy2-Methyl-5-trifluoromethyl-2H-pyrazole-3-carbonylchloride
TD8034AKOS00506940811M-321SM26281-Methyl-3-trifluoromethylpyrazole-4-carboxylic acid1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic Acid; 1-Methyl-3-(trifluoromethyl)pyrazole-4-carboxylic Acid1H-Pyrazole-4-carboxylic acid, 1-methyl-3-(trifluoromethyl)-AM20080080

데이터베이스 식별자

CAS
113100-53-1
PubChem CID
2775665
DTXSID
DTXSID20379644
EC Number
601-232-0
Nikkaji
J2.894.534E

물성

구조 계산 물성

XLogP
0.7
극성 표면적
55.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
1
무거운 원자 수
13

실험 및 물리화학적 성질

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

물리화학적 성질

녹는점
203 °C · 203 °C
끓는 점
285.6 · 285.6±40.0 °C(Predicted)
밀도
1.56 · 1.56±0.1 g/cm3(Predicted)
저장 조건
Keep in dark place,Inert atmosphere,Room temperature
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
고체

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationCommission Regulation (EU) No 188/2011
Hazard Classes and CategoriesAcute Tox. 4 (25%)

안전 데이터

wgk
2
HS 번호
29331990
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36/37/39-24/25
위험 등급
IRRITANT

화학 및 산업

용도 및 제조

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

응용 분야

용도3-(Trifluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic Acid is used in the synthesis of diaryl ether inhibitors of Toxoplasma gondii enoyl reductase. Also used in the synthesis of 4-carboxamide derivatives acting as antifungal agents.

상·하류 제품 정보

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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