2,4-디플루오로페닐)1-(1H,1-일-1,2,4트리아졸-2,3-에폭시프로판메탄설포나

1-{[2-(2,4-Difluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole monomethanesulfonate

HCID 13059700

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 86386-77-8
표준 SMILES: CS(=O)(=O)O.Fc1ccc(C2(Cn3cncn3)CO2)c(F)c1
InChIKey: NJBRNNOGZPVNNR-UHFFFAOYSA-N
분자식: C12H13F2N3O4S
평균 분자량: 333.31 g/mol

이름 및 식별자

우선 이름: 1-{[2-(2,4-Difluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole monomethanesulfonate
IUPAC: 1-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole;methanesulfonic acid
현지명: 2,4-디플루오로페닐)1-(1H,1-일-1,2,4트리아졸-2,3-에폭시프로판메탄설포나
영어명: 2,4-Difluorophenyl) 1-(1H, 1-yl-1,2,4 Triazole-2,3-Epoxy propane methane sulfona
분자식: C11H9F2N3O.CH4O3S
분자량: 333.31

이름 및 동의어

1-{[2-(2,4-difluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole monomethanesulfonate1H-1,2,4-Triazole, 1-[[2-(2,4-difluorophenyl)-2-oxiranyl]methyl]-, methanesulfonate (1:1)1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole monomethanesulfonate1H-1,2,4-Triazole, 1-((2-(2,4-difluorophenyl)-2-oxiranyl)methyl)-, methanesulfonate (1:1)RefChem:418267EC 617-843-0617-843-086386-77-82-[[(2,4-Difluorophenyl)-2-oxiranyl]methyl]-1H-1,2,4-triazole methanesulfonateEfinaconazole analogue-11-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonateFluconazole EP Impurity G

이름 더 보기

2,4-디플루오로페닐)1-(1H,1-일-1,2,4트리아졸-2,3-에폭시프로판메탄설포나Fluconazole-7FLUCONAZOLE EP IMP GFluconazole EP Impurity G MesylateFluconazole Impurity G as MesilateFluconazole Impurity G Mesylate(EP)FLUCONAZOLE EP IMPURITY G (EPOXIDE)Fluconazole EP Impurity G as Mesilate

1-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole;methanesulfonic acidFluconazole Impurity (1-(2,4-Difluorophenyl)-1-(1H-1,2,4-Triazol-1-yl)-2,3-Epoxy Propane Methanesulfonate Salt)1-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole; methanesulfonic acid1-[2-(2,4-Difluorophenyl)-2,3-epoxypropyl]-1H-1, 2, 4-triazole methanesulfonate2-(2,4-Difluorophenyl)-2,3-epoxy-1-(1H-1,2,4-triazol-1-yl)propane methanesulfonate saltfluconazoleintermediateC12H13F2N3O4S1-[[(2RS)-2-(2,4-Difluorophenyl)oxiran-2-yl]methyl]-1H-1,2,4-triazole Mesilate

데이터베이스 식별자

CAS: 86386-77-8
PubChem CID: 13059700
UNII: QB4948WV8P
EC Number: 617-843-0

물성

구조 계산 물성

극성 표면적: 106 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 8
회전 가능 결합 수: 3
무거운 원자 수: 22
형식 전하: 0
복잡도: 386

물리화학적 성질

녹는점: 192 · 192-194 °C
저장 조건: 2 · 2-8°C, sealed storage, away from moisture
물리적 상태: 고체
색상: White to off-white
InChI: InChI=1S/C11H9F2N3O.CH4O3S/c12-7-1-2-8(9(13)3-7)11(10-4-17-10)16-6-14-5-15-16;1-5(2,3)4/h1-3,5-6,10-11H,4H2;1H3,(H,2,3,4)
InChIKey: CCARTVONPPDMMY-UHFFFAOYSA-N
SMILES: C1N(N=CN=1)C(C1OC1)C1=CC=C(F)C=C1F.S(C)(=O)(O)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): 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)

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

유해성 정보

Regulatory InformationREACH registered substance: 1-{[2-(2,4-Difluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole monomethanesulfonate (EC: 617-843-0)

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

HS 번호: 2930909899

화학 및 산업

공급사100 곳

艾吉析科技（上海）有限公司17717235263 · [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]

上海炎泽化工有限公司15345144255 19975051755 · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

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