에틸4-메틸-5-티아졸락테이트

5-Thiazolecarboxylic acid, 4-methyl-, ethyl ester

HCID 298610

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 20582-55-2
표준 SMILES: CCOC(=O)c1scnc1C
InChIKey: WISQBJLUORKXNY-UHFFFAOYSA-N
분자식: C7H9NO2S
평균 분자량: 171.22 g/mol
단동위원소 질량: 171.03539953

이름 및 식별자

우선 이름: 5-Thiazolecarboxylic acid, 4-methyl-, ethyl ester
IUPAC: ethyl 4-methyl-1,3-thiazole-5-carboxylate
현지명: 에틸4-메틸-5-티아졸락테이트
영어명: Ethyl 4-methyl-5-thiazoleactate
분자식: C7H9NO2S
분자량: 171.22

이름 및 동의어

20582-55-25-Thiazolecarboxylic acid, 4-methyl-, ethyl esterRefChem:1073356Ethyl 4-methylthiazole-5-carboxylateEthyl 4-methyl-1,3-thiazole-5-carboxylateMFCD006268734-Methylthiazole-5-carboxylic acid ethyl esterEthyl4-methyl-5-thiazoleactateNSC1708244-methyl-5-thiazolecarboxylic acid ethylesterSCHEMBL31575SCHEMBL971952

이름 더 보기

에틸4-메틸-5-티아졸락테이트ETHYL 4-METHYL-5-THIAZOLEACTATEEthyl-4-methyl-5-thiazoly formateETHYL 4-METHYL-5-THIAZOLYL FORMATEEthyl4-Methylthiazole-5-CarboxylatEthyl 4-metylthiazole-5-carboxylateEthyl-4-methyl-5-thizaolecarboxylateETHYL 4-METHYL-5-THIAZOLECARBOXYLATE4-methyl-5-(ethoxycarbonyl)-thiazole5-(Ethoxycarbonyl)-4-methyl-1,3-thiazole

DTXSID00942774HMS1703D02ethyl4-methylthiazole-5-carboxylate4-methyl-5-(ethoxycarbonyl)thiazoleSBB067075thiazole, 5-ethoxycarbonyl-4-methyl-AKOS0006728244-Methylthiazol-5-carbonsaureathylester

데이터베이스 식별자

CAS: 20582-55-2
PubChem CID: 298610
DTXSID: DTXSID00942774
EC Number: 606-584-9
Nikkaji: J1.905.411J

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

녹는점: 28 °C · 28°C(lit.)
끓는 점: 233 °C · 233°C(lit.)
밀도: 1.198 · 1.198±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: powder to lump
산도 계수 (pKa): 1.57 · 1.57±0.10(Predicted)
색상: 흰색에서 거의 흰색
LogP: 1.41 · 1.410 (est)

화학적 성질

white to light yellow crystal powde

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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.