에틸2-메틸티아졸-4-카르복실레이트

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

HCID 293353CAS 6436-59-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)c1csc(C)n1
InChIKey: QWWPUBQHZFHZSF-UHFFFAOYSA-N
분자식: C7H9NO2S
평균 분자량: 171.22 g/mol
단동위원소 질량: 171.03539953

이름 및 식별자

우선 이름: Ethyl 2-methyl-1,3-thiazole-4-carboxylate
IUPAC: ethyl 2-methyl-1,3-thiazole-4-carboxylate
현지명: 에틸2-메틸티아졸-4-카르복실레이트
영어명: Ethyl 2-methylthiazole-4-carboxylate
분자식: C7H9NO2S
분자량: 171.22

이름 및 동의어

ethyl 2-methyl-1,3-thiazole-4-carboxylateRefChem:594446640-267-6Ethyl 2-methylthiazole-4-carboxylate6436-59-52-Methyl-thiazole-4-carboxylic acid ethyl esterMFCD00156148ethyl2-methylthiazole-4-carboxylateNSC1598934-Thiazolecarboxylic acid, 2-methyl-, ethyl esterMaybridgeMaybridge1_008348

이름 더 보기

에틸2-메틸티아졸-4-카르복실레이트BUTTPARK 29\06-83ETHYL 2-METHYLTHIAZO2-Methylthiazole-4-carboxylatemethyl 2-methylthiazole-4-carboxylate4-(Ethoxycarbonyl)-2-methyl-1,3-thiazoleEthyl 2-methylthiazole-4-carboxylate≥ 98% (GC)Ethyl 2-methyl-1,3-thiazole-4-carboxylate ,98%

SCHEMBL914552orb3031620SCHEMBL4483505HMS565D10DTXSID40303668QWWPUBQHZFHZSF-UHFFFAOYSA-NFr12143ethyl 2-methylthiazol-4-carboxylate

데이터베이스 식별자

CAS: 6436-59-5
PubChem CID: 293353
DTXSID: DTXSID40303668
EC Number: 640-267-6
Nikkaji: J796.006I

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: 54 · 54-58 °C
끓는 점: 242.1 · 242.1±13.0 °C(Predicted)
밀도: 1.198 · 1.198±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 1.1 · 1.10±0.10(Predicted)
물리적 상태: solid
InChI: InChI=1S/C7H9NO2S/c1-3-10-7(9)6-4-11-5(2)8-6/h4H,3H2,1-2H3
InChIKey: QWWPUBQHZFHZSF-UHFFFAOYSA-N
SMILES: S1C=C(C(OCC)=O)N=C1C

화학적 성질

light yellowto brownpowde

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (16.7%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (16.7%)

안전 데이터

wgk: 3
HS 번호: 29341000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37-24/25
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도Ethyl 2-methylthiazole-4-carboxylate is a reactant used in the synthesis of 2,4,5-trisubstituted thiazoles as antituberculosis agents effective against drug resistant tuberculosis.