CAS 127000-90-2 1-((2-(2,4-Difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole, (2R-cis)- (HCID 10131191)

이름 및 식별자

우선 이름: 1-((2-(2,4-Difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole, (2R-cis)-
IUPAC: 1-[[(2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl]methyl]-1,2,4-triazole
영어명: 1. 1-(((2R, 3S)-2-(2,4-difluorophenyl)-3-Methyloxiran-2-yl) Methyl)-1H-1,2,4-triazole
분자식: C12H11F2N3O
분자량: 251.23

이름 및 동의어

127000-90-21-(((2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole1-{[(2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl]methyl}-1H-1,2,4-triazoleD1JO8189W71H-1,2,4-Triazole, 1-[[(2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiranyl]methyl]-UNII-D1JO8189W71-((2-(2,4-Difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole, (2R-cis)-1H-1,2,4-Triazole, 1-((2-(2,4-difluorophenyl)-3-methyloxiranyl)methyl)-, (2R-cis)-1H-1,2,4-Triazole, 1-(((2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiranyl)methyl)-1-[[(2R,3S)-2-(2,4-Difluorophenyl)-3-methyloxiran-2-yl]methyl]-1H-1,2,4-triazoleRefChem:196877132563-77-0

이름 더 보기

(2R,3S)-2-(2,4-Difluorophenyl)-3-methyl-[(1H-1,2,4-triazol-1-yl)methyl]oxirane1-(((2R,3S)-2-(2,4-DIFLUOROPHENYL)-3-METHYLOXIRAN-2-YL) METHYL)-1H-1,2,4-TRIAZOLEC12H1F2N3O(2R,3S)-2-(Efinaconazole intEfinaconazole Impurity JEfluconazole impurity 421. 1-(((2R, 3S)-2-(2,4-difluorophe1. 1-(((2R, 3S)-2-(2,4-difluorophenyl)-3-Methyloxiran-2-yl)1-(((2R,3S)-2-(2,4-Difluorophenyl)-3-methyloxiran-2-yl) meth...

MFCD098338671. 1-(((2R, 3S)-2-(2,4-difluorophenyl)-3-Methyloxiran-2-yl) Methyl)-1H-1,2,4-triazole1-[[(2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl]methyl]-1,2,4-triazole1-[[(2R,3S)-2-(2,4-difluorophenyl)-3-Methyloxiranyl]Methyl]-1H-1,2,4-Triazole(2R,3S)-2-(2,4-difluorophenyl)-3-methyl-2-[(1H-1,2,4-triazole-1-yl)methyl]oxiraneC12H11F2N3Orel-1-(((2R,3S)-2-(2,4-DIFLUOROPHENYL)-3-METHYLOXIRAN-2-YL)METHYL)-1H-1,2,4-TRIAZOLEQANJLSHZDUOBBP-QPUJVOFHSA-N

데이터베이스 식별자

CAS: 127000-90-2
PubChem CID: 10131191
UNII: D1JO8189W7
EC Number: 806-540-0
Nikkaji: J424.587C

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 43.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 18
형식 전하: 0
복잡도: 320

물리화학적 성질

끓는 점: 371.6 · 371.6±52.0 °C(Predicted)
밀도: 1.41 · 1.41±0.1 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
용해도: 클로로포름(소량으로 용해), 메탄올(소량으로 용해)
산도 계수 (pKa): 2.75 · 2.75±0.10(Predicted)
물리적 상태: 고체
색상: 흰색에서 황백색까지
안정성: 감광성
InChI: InChI=1S/C12H11F2N3O/c1-8-12(18-8,5-17-7-15-6-16-17)10-3-2-9(13)4-11(10)14/h2-4,6-8H,5H2,1H3/t8-,12+/m0/s1
InChIKey: QANJLSHZDUOBBP-QPUJVOFHSA-N
SMILES: N1(C[C@]2(C3=CC=C(F)C=C3F)[C@H](C)O2)C=NC=N1

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 3 reports by companies.；There is 1 notification provided by 2 of 3 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)；Eye Irrit. 2 (66.7%)；STOT SE 3 (66.7%)

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

용도1-[[(2R,3S)-2-(2,4-Difluorophenyl)-3-methyloxiranyl]methyl]-1H-1,2,4-triazole is a useful intermediate for the synthesis of sulfur-containing antifungal azoles was synthesized.