4-티아졸카르복실산,2-(트리플루오로메틸)-,에틸에스테르(9CI)

Ethyl 2-(trifluoromethyl)-1,3-thiazole-4-carboxylate

HCID 20079591CAS 133046-46-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)c1csc(C(F)(F)F)n1
InChIKey: WFUNYBAJYAWHLX-UHFFFAOYSA-N
분자식: C7H6F3NO2S
평균 분자량: 225.19 g/mol
단동위원소 질량: 225.00713409

이름 및 식별자

우선 이름: Ethyl 2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
IUPAC: ethyl 2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
현지명: 4-티아졸카르복실산,2-(트리플루오로메틸)-,에틸에스테르(9CI)
영어명: 4-Thiazolecarboxylicacid,2-(trifluoromethyl)-,ethylester(9CI)
분자식: C7H6F3NO2S
분자량: 225.19

이름 및 동의어

133046-46-5ethyl 2-(trifluoromethyl)-1,3-thiazole-4-carboxylateDTXSID80602208RefChem:342545DTXCID70552965891-088-7Ethyl 2-(trifluoromethyl)thiazole-4-carboxylateMFCD105682984-Thiazolecarboxylic acid, 2-(trifluoromethyl)-, ethyl ester2-Trifluoromethyl-thiazole-4-carboxylic acid ethyl esterSCHEMBL14316682-(trifluoromethylthiazole)-4-carboxylic acid ethyl ester

이름 더 보기

4-티아졸카르복실산,2-(트리플루오로메틸)-,에틸에스테르(9CI)4-Thiazolecarboxylicacid,2-(trifluoroMethyl)-,ethylester4-Thiazolecarboxylicacid,2-(trifluoromethyl)-,ethylester(9CI)

SBB096803AKOS015852870AS-5424CS-W006131FE93048SB32852AC-27143SY047905

데이터베이스 식별자

CAS: 133046-46-5
PubChem CID: 20079591
DTXSID: DTXSID80602208
EC Number: 891-088-7

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 67.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 7
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 221

물리화학적 성질

녹는점: 49 · 49-50°
끓는 점: 194.8 · 194.8±40.0 °C(Predicted)
밀도: 1.407 · 1.407±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): -2.54 · -2.54±0.10(Predicted)

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, 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.