1-메틸-5-(트리플루오로메틸)-1H-피라졸-3-OL

1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-ol

HCID 2724914

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 119022-51-4
표준 SMILES: Cn1[nH]c(=O)cc1C(F)(F)F
InChIKey: QEHXHKNBIGEWIH-UHFFFAOYSA-N
분자식: C5H5F3N2O
평균 분자량: 166.1 g/mol
단동위원소 질량: 166.03539744

개요

1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-ol is a member of pyrazoles.

이름 및 식별자

우선 이름: 1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-ol
IUPAC: 2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one
현지명: 1-메틸-5-(트리플루오로메틸)-1H-피라졸-3-OL
영어명: 1-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOL-3-OL
분자식: C5H5F3N2O
분자량: 166.1

이름 및 동의어

1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-olRefChem:434456622-911-8119022-51-41-Methyl-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one3-hydroxy-1-methyl-5-(trifluoromethyl)pyrazole1-Methyl-5-trifluoromethyl-1,2-dihydropyrazol-3-one2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-oneMFCD000850941-methyl-5-(trifluoromethyl)pyrazol-3-ol3H-Pyrazol-3-one, 1,2-dihydro-1-methyl-5-(trifluoromethyl)-1,2-DIHYDRO-1-METHYL-5-(TRIFLUOROMETHYL)-3H-PYRAZOL-3-ONE

이름 더 보기

1-메틸-5-(트리플루오로메틸)-1H-피라졸-3-OLTIMTEC-BB SBB0001545-(TRIFLUOROMETHYL)-1-METHYL-1H-PYRAZOL-3-OL3-HYDROXY-1-METHYL-5-TRIFLUOROMETHYL-1H-PYRAZOLE5-HYDROXY-2-METHYL-3-TRIFLUOROMETHYL-1H-PYRAZOLE1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-ol,99+%3-Hydroxy-1-methyl-5-(trifluoromethyl)pyrazole97%

1H-pyrazol-3-ol, 1-methyl-5-(trifluoromethyl)-1-Methyl-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-onePyroxasulfone Impurity 1Maybridge1_001628orb3029873SCHEMBL1241627SCHEMBL5222605HMS546B22

데이터베이스 식별자

CAS: 119022-51-4
PubChem CID: 2724914
DTXSID: DTXSID40369289
ChEBI: CHEBI:194848
EC Number: 622-911-8
Nikkaji: J284.551B

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 32.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 220

물리화학적 성질

녹는점: 114 · 114-115 °C
밀도: 1.3876 · 1.3876 (estimate)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 7.35 · 7.35±0.70(Predicted)
BRN: 3543409 · 3543409

화학적 성질

White to yellow or pink crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (97.6%)

안전 데이터

wgk: 3
ridadr: UN 2811 6.1 / PGIII
HS 번호: 2933199090
risk_code: 36/37/38-25
hazard_code: Xi,T
safety_code: 24/25-45-26
위험 등급: IRRITANT

화학 및 산업

상·하류 제품 정보

상류 원료

공급사74 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

宁波振岳医药科技有限公司19817745290 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

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