2-페닐-5-트리플루오로메틸-2H-피라졸-3-올

2-Phenyl-5-trifluoromethyl-2H-pyrazol-3-ol

HCID 892717CAS 96145-98-1
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=c1cc(C(F)(F)F)[nH]n1-c1ccccc1
InChIKey
PSQCMVQGPMFFCX-UHFFFAOYSA-N
분자식
C10H7F3N2O
평균 분자량
228.17 g/mol
단동위원소 질량
228.0510475

이름 및 식별자

우선 이름
2-Phenyl-5-trifluoromethyl-2H-pyrazol-3-ol
IUPAC
2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one
현지명
2-페닐-5-트리플루오로메틸-2H-피라졸-3-올
영어명
2-Phenyl-5-trifluoromethyl-2H-pyrazol-3-ol
분자식
C10H7F3N2O
분자량
228.17

이름 및 동의어

2-Phenyl-5-trifluoromethyl-2H-pyrazol-3-ol96145-98-11-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-ol2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one5-hydroxy-1-phenyl-3-trifluoromethylpyrazole781-93-1MFCD037147732-phenyl-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one1H-Pyrazol-5-ol, 1-phenyl-3-(trifluoromethyl)-2-phenyl-5-(trifluoromethyl)pyrazol-3-ol1H-Pyrazol-5-ol,1-phenyl-3-(trifluoromethyl)-2-phenyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazol-3-one
이름 더 보기
2-페닐-5-트리플루오로메틸-2H-피라졸-3-올2-Phenyl-5-trifluoro3-Hydroxy-2-phenyl-5-(trifluoromethyl)pyrazole
1-phenyl-3-[trifluoromethyl]-1h-pyrazol-5-ol5-Hydroxy-1-phenyl-3-(trifluoromethyl)-1H-pyrazoleA1AYUMaybridge1_0043155-hydroxy-1-phenyl-3-(trifluoromethyl)pyrazoleSCHEMBL486072SCHEMBL537395orb3029712

데이터베이스 식별자

CAS
96145-98-1
PubChem CID
892717
DTXSID
DTXSID60358397
EC Number
675-346-4
Nikkaji
J842.504C

물성

구조 계산 물성

XLogP
2.4
극성 표면적
32.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
1
무거운 원자 수
16

물리화학적 성질

저장 조건
Inert atmosphere,Room Temperature
InChI
InChI=1S/C10H7F3N2O/c11-10(12,13)8-6-9(16)15(14-8)7-4-2-1-3-5-7/h1-6,16H
InChIKey
CGMKIOXMUMZDAP-UHFFFAOYSA-N
SMILES
N1(C2=CC=CC=C2)C(O)=CC(C(F)(F)F)=N1

안전 및 규제

GHS 분류

GHS Classification · 4건

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호
2933199090

화학 및 산업

응용 분야

용도5-Hydroxy-1-phenyl-3-trifluoromethylpyrazole is used in the preparation 5-((1H-Pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one, an inhibitor of ADAMTS-5.

상·하류 제품 정보

공급사47 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]

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