1-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone

HCID 739374
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기본 정보

CAS
58905-16-1
표준 SMILES
O=C(Cn1cncn1)c1ccc(Cl)cc1Cl
InChIKey
XOHMICFWUQPTNP-UHFFFAOYSA-N
분자식
C10H7Cl2N3O
평균 분자량
256.08 g/mol
단동위원소 질량
254.9966172

이름 및 식별자

우선 이름
1-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone
IUPAC
1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanone
영어명
1-(2,4-Dichlorolphenyl)-2-(1H-1,2,4-triazole-1-yl)-ethanone
분자식
C10H7Cl2N3O
분자량
256.09

이름 및 동의어

58905-16-11-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-yl)ethanoneDTXSID50353396RefChem:1053825DTXCID003044591-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one1-(2,4-DICHLOROLPHENYL)-2-(1H-1,2,4-TRIAZOLE-1-YL)-ETHANONE1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanoneMFCD002763152',4'-Dichloro-2-(1,2,4 triazol-1yl)acetophenoneCHEMBL20634941-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-Ethanone
이름 더 보기
TercozoleImpurity5Terconazole Impurity 5Propiconazole Impurity 9Propiconazole Metabolite (CGA-91304)2',4'-DICHLORO-2-(1,2,4 TRIAZOL-1YL) ACETOPHENONE1-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazole-1-yl)-
1-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazole-1-yl)-ethanoneTerconazole Impurity 3XOHMICFWUQPTNP-UHFFFAOYSA-N1-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone; 1-(2,4-Dichloro-phenyl)-2-[1,2,4]triazol-1-yl-ethanone; 1-(2,4-Dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanone; 1-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-1-ethanone; 2',4'-Dichloro-2-(1,2,4-tEthanone, 1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-PRP_M256SCHEMBL2550587BDBM50088482

데이터베이스 식별자

CAS
58905-16-1
PubChem CID
739374
DTXSID
DTXSID50353396
ChEMBL
CHEMBL2063494
Nikkaji
J372.633I

물성

구조 계산 물성

XLogP
2.8
극성 표면적
47.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
16

물리화학적 성질

녹는점
160 · 160-161 °C
끓는 점
428.5 · 428.5±55.0 °C(Predicted)
밀도
1.48 · 1.48±0.1 g/cm3(Predicted)
저장 조건
-20 °C · -20°C Freezer, Under inert atmosphere
용해도
클로로포름 (약간 용해됨), DMSO (약간 용해됨)
물리적 상태
고체

화학 및 산업

용도 및 제조

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

응용 분야

용도1-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone is an intermediate in the synthesis of Propiconazole (P770100) related compounds.

상·하류 제품 정보

공급사34 곳

济南百隆化学有限公司[email protected] · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

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