2-티아졸카르복실산,4-(클로로메틸)-,에틸에스테르(6CI,9CI)

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

HCID 10822129CAS 100960-16-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)c1nc(CCl)cs1
InChIKey: JSYOQGQNLKDSGQ-UHFFFAOYSA-N
분자식: C7H8ClNO2S
평균 분자량: 205.66 g/mol
단동위원소 질량: 204.99642718

이름 및 식별자

우선 이름: Ethyl 4-(chloromethyl)-1,3-thiazole-2-carboxylate
IUPAC: ethyl 4-(chloromethyl)-1,3-thiazole-2-carboxylate
현지명: 2-티아졸카르복실산,4-(클로로메틸)-,에틸에스테르(6CI,9CI)
영어명: 2-Thiazolecarboxylicacid,4-(chloromethyl)-,ethylester(6CI,9CI)
분자식: C7H8ClNO2S
분자량: 205.66

이름 및 동의어

100960-16-5Ethyl 4-(chloromethyl)-1,3-thiazole-2-carboxylateDTXSID10445362RefChem:343756DTXCID10396183690-944-5ETHYL 4-(CHLOROMETHYL)THIAZOLE-2-CARBOXYLATEMFCD10697515Ethyl 4-(chloromethyl)-2-thiazolecarboxylate2-Thiazolecarboxylic acid, 4-(chloromethyl)-, ethyl ester2-Thiazolecarboxylicacid,4-(chloromethyl)-,ethylester(6CI,9CI)SCHEMBL855435

이름 더 보기

2-티아졸카르복실산,4-(클로로메틸)-,에틸에스테르(6CI,9CI)Ethyl 4-(chloromethyl)-thiazol-2-carboxylate2-Thiazolecarboxylicacid,4-(chloromethyl)-,ethylester4-(chloromethyl)-2-Thiazolecarboxylic acid ethyl ester (6CI 9CI ACI)2-Thiazolecarboxylic acid, 4-(chloromethyl)-, ethyl ester (6CI, 9CI, ACI)

JSYOQGQNLKDSGQ-UHFFFAOYSA-NAEA96016ALBB-034056AKOS009157469AB59805GF-0727ethyl 4-chloromethylthiazole-2-carboxylateDB-334192

데이터베이스 식별자

CAS: 100960-16-5
PubChem CID: 10822129
DTXSID: DTXSID10445362
EC Number: 690-944-5

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: 4
무거운 원자 수: 12
형식 전하: 0
복잡도: 167

물리화학적 성질

녹는점: 55 · 55-56 °C
끓는 점: 303.3 · 303.3±34.0 °C(Predicted)
밀도: 1.333 · 1.333±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): -1.73 · -1.73±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, 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.