CAS 866588-11-6 Ethyl 3-(4-fluorophenyl)-1h-pyrazole-5-carboxylate (HCID 583549)

기본 정보

CAS: 866588-11-6
표준 SMILES: CCOC(=O)c1cc(-c2ccc(F)cc2)n[nH]1
InChIKey: XYKNUKFAXFVJRH-UHFFFAOYSA-N
분자식: C12H11FN2O2
평균 분자량: 234.23 g/mol
단동위원소 질량: 234.08045581

이름 및 식별자

우선 이름: Ethyl 3-(4-fluorophenyl)-1h-pyrazole-5-carboxylate
IUPAC: ethyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate
현지명: 3-(4-플루오로페닐)-1H-피라졸-5-카르복실산에틸에스테르
영어명: 3-(4-Fluorophenyl)-1H-pyrazole-5-carboxylic acid ethyl ester
분자식: C12H11FN2O2
분자량: 234.23

이름 및 동의어

ethyl 3-(4-fluorophenyl)-1h-pyrazole-5-carboxylate866588-11-6Ethyl 5-(4-fluorophenyl)-1H-pyrazole-3-carboxylate3-(4-fluorophenyl)-1h-pyrazole-5-carboxylic acid ethyl esterMFCD08445938Ethyl 5-[p-fluorophenyl]pyrazole-3-carboxylateSCHEMBL2824803SCHEMBL3501972DTXSID70342646MFCD18118477AKOS005265211AKOS005265233

이름 더 보기

3-(4-플루오로페닐)-1H-피라졸-5-카르복실산에틸에스테르Ethyl 3-(4-Fluorophenyl)-1h-pyrazole-5-carboxylic acid5-(4-Fluoro-phenyl)-2H-pyrazole-3-carboxylic acid ethyl esterethyl 5-(4-fluorophenyl)-1H-pyrazole-3-carboxylate - [AC78675]1H-Pyrazole-3-carboxylic acid, 5-(4-fluorophenyl)-, ethyl ester

AS-71006SY122859DB-124806CS-0037615ST51079201ethyl 5-(4-fluorophenyl)pyrazole-3-carboxylateF033561Ethyl 5-(4-fluorophenyl)-1H-pyrazole-3-carboxylate #

데이터베이스 식별자

CAS: 866588-11-6

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 55 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 267

물리화학적 성질

녹는점: 188 · 188-189 °C
끓는 점: 424.2 · 424.2±35.0 °C(Predicted)
밀도: 1.266 · 1.266±0.06 g/cm3(Predicted)
산도 계수 (pKa): 10.08 · 10.08±0.10(Predicted)

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.