4-메틸티아졸-2-카르복실산에틸에스테르

Ethyl 4-methyl-1,3-thiazole-2-carboxylate

HCID 567306CAS 7210-73-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)c1nc(C)cs1
InChIKey: YJWKNFZGGQBYGD-UHFFFAOYSA-N
분자식: C7H9NO2S
평균 분자량: 171.22 g/mol
단동위원소 질량: 171.03539953

이름 및 식별자

우선 이름: Ethyl 4-methyl-1,3-thiazole-2-carboxylate
IUPAC: ethyl 4-methyl-1,3-thiazole-2-carboxylate
현지명: 4-메틸티아졸-2-카르복실산에틸에스테르
영어명: 4-Methylthiazole-2-carboxylic acid ethylester
분자식: C7H9NO2S
분자량: 171.22

이름 및 동의어

Ethyl 4-methyl-1,3-thiazole-2-carboxylateRefChem:595459843-911-6Ethyl 4-methylthiazole-2-carboxylate7210-73-3MFCD111121132-Thiazolecarboxylic acid, 4-methyl-, ethyl esterEthyl4-methylthiazole-2-carboxylateSCHEMBL108390DTXSID20340778HAA21073AKOS010644265

이름 더 보기

4-메틸티아졸-2-카르복실산에틸에스테르2-(Ethoxycarbonyl)-4-methyl-1,3-thiazole4-Methylthiazol-2-carbonsaeure-ethylester4-Methylthiazole-2-carboxylic acid ethylester4-Methyl-2-thiazolecarboxylic acid ethyl ester

PS-4075SY498726CS-0208051EN300-83992Ethyl 4-methyl-1,3-thiazole-2-carboxylate #4-methyl-thiazole-2-carboxylic acid ethyl esterF066972

데이터베이스 식별자

CAS: 7210-73-3
PubChem CID: 567306
DTXSID: DTXSID20340778
EC Number: 843-911-6
Nikkaji: J102.370E

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 67.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 151

물리화학적 성질

끓는 점: 130 · 130-132 °C(Press: 16 Torr)
밀도: 1.198 · 1.198±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 0.85 · 0.85±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.