[R-(R*,S*)]-β-(2,4-디플루오로페닐)-β-히드록시-α-메틸-1H-1,2,4-트리아졸-1-부탄니트릴

(2S,3R)-3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butyronitrile

HCID 9860445
노트반응
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기본 정보

CAS
170862-36-9
표준 SMILES
C[C@@H](C#N)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
InChIKey
ZURMGBIMFHVPNC-TVQRCGJNSA-N
분자식
C13H12F2N4O
평균 분자량
278.26 g/mol
단동위원소 질량
278.09791744

이름 및 식별자

우선 이름
(2S,3R)-3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butyronitrile
IUPAC
(2S,3R)-3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanenitrile
현지명
[R-(R*,S*)]-β-(2,4-디플루오로페닐)-β-히드록시-α-메틸-1H-1,2,4-트리아졸-1-부탄니트릴
영어명
(αS,βR)-β-(2,4-Difluorophenyl)-β-hydroxy-α-Methyl-1H-1,2,4-triazole-1-butanenitrile
분자식
C13H12F2N4O
분자량
278.26

이름 및 동의어

170862-36-9(2S,3R)-3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butyronitrileDTXSID80432007RefChem:207079DTXCID40382837(2S,3R)-3-(2,4-difluorophenyl)-3-hydroxy-2-Methyl-4-(1H-1,2,4-triazol-1-yl)butanenitrile(2S,3R)-3-(2,4-DIFLUOROPHENYL)-3-HYDROXY-2-METHYL-4-(1,2,4-TRIAZOL-1-YL)BUTANENITRILE(aS,bR)-b-(2,4-Difluorophenyl)-b-hydroxy-a-methyl-1H-1,2,4-triazole-1-butanenitrile[R-(R*,S*)]-beta-(2,4-Difluorophenyl)-beta-hydroxy-alpha-methyl-1H-1,2,4-triazole-1-butanenitrile(ALPHAS,BETAR)-BETA-(2,4-DIFLUOROPHENYL)-BETA-HYDROXY-ALPHA-METHYL-1H-1,2,4-TRIAZOLE-1-BUTANENITRILE(|AS,|AR)-|A-(2,4-Difluorophenyl)-|A-hydroxy-|A-methyl-1H-1,2,4-triazole-1-butanenitrileRW9C9R5JXT
이름 더 보기
[R-(R*,S*)]-β-(2,4-디플루오로페닐)-β-히드록시-α-메틸-1H-1,2,4-트리아졸-1-부탄니트릴(αS,βR)-β-(2,4-Difluorophenyl)-β-hydroxy-α-Methyl-1H-1,2,4-triazole-1-butanenitrile[R-(R*,S*)]-β-(2,4-Difluorophenyl)-β-hydroxy-α-Methyl-1H-1,2,4-triazole-1-butanenitrile1H-1,2,4-Triazole-1-butanenitrile, β-(2,4-difluorophenyl)-β-hydroxy-α-methyl-, (αS,βR)-
SCHEMBL6629294ZURMGBIMFHVPNC-TVQRCGJNSA-NEX-A153781H-1,2,4-Triazole-1-butanenitrile, beta-(2,4-difluorophenyl)-beta-hydroxy-alpha-methyl-, (alphaS,betaR)-1H-1,2,4-Triazole-1-butanenitrile, beta-(2,4-difluorophenyl)-beta-hydroxy-alpha-methyl-, [R-(R*,S*)]-3-(2,4-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanenitrile, (2S,3R)-

데이터베이스 식별자

CAS
170862-36-9
PubChem CID
9860445
DTXSID
DTXSID80432007
UNII
RW9C9R5JXT
Nikkaji
J981.204K

물성

구조 계산 물성

XLogP
0.9
극성 표면적
74.7 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
4
무거운 원자 수
20

물리화학적 성질

녹는점
178 · 178-182 °C(Solv: isopropanol (67-63-0))
끓는 점
522.5 · 522.5±60.0 °C(Predicted)
밀도
1.32 · 1.32±0.1 g/cm3(Predicted)
저장 조건
-20 °C · -20°C Freezer
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
고체

화학적 성질

Beige Solid

안전 및 규제

안전 데이터

신호 어
Warning
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야

용도(αS,βR)-β-(2,4-Difluorophenyl)-β-hydroxy-α-Methyl-1H-1,2,4-triazole-1-butanenitrile is used in the preparation of triazole antifungal agents.

상·하류 제품 정보

하류 제품

공급사28 곳

山东艾斯曼新材料有限公司13698626386 13698626386
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+86-13382787392 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]

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