에틸2-브로모티아졸-4-카복실레이트

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

HCID 353965CAS 100367-77-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)c1csc(Br)n1
InChIKey: CNHISCQPKKGDPO-UHFFFAOYSA-N
분자식: C6H6BrNO2S
평균 분자량: 236.09 g/mol
단동위원소 질량: 234.93026153

이름 및 식별자

우선 이름: Ethyl 2-bromo-1,3-thiazole-4-carboxylate
IUPAC: ethyl 2-bromo-1,3-thiazole-4-carboxylate
현지명: 에틸2-브로모티아졸-4-카복실레이트
영어명: Ethyl 2-bromothiazole-4-carboxylate
분자식: C6H6BrNO2S
분자량: 236.09

이름 및 동의어

ethyl 2-bromo-1,3-thiazole-4-carboxylateRefChem:594232640-217-3Ethyl 2-bromothiazole-4-carboxylate100367-77-94-Thiazolecarboxylic acid, 2-bromo-, ethyl esterMFCD037885642-Bromothiazole-4-carboxylic acid ethyl esterETHYL-2-BROMOTHIAZOLE-4-CARBOXYLATE2-Bromo-thiazole-4-carboxylic acid ethyl esterEthyl2-bromothiazole-4-carboxylateETHYL 2-BROMO-4-THIAZOLECARBOXYLATE

이름 더 보기

에틸2-브로모티아졸-4-카복실레이트ethyl 2-broMo-thiazol-4-carboxylateEthyl2-Bromothiazole-4-carboxylate>Ethyl2-bromothiazole-4-carboxylate,97%2-Bromo-4-(ethoxycarbonyl)-1,3-thiazoleEthyl 2-bromothiazole-4-carboxylate 96%Ethyl 2-Bromothiazole-4-Carboxylate SKY2-bromo-4-thiazolecarboxylic acid ethyl ester

NSC603614SCHEMBL285573CHEMBL51723362-bromo-4-ethoxycarbonylthiazoleDTXSID70326608CNHISCQPKKGDPO-UHFFFAOYSA-NALBB-014309SBB053905

데이터베이스 식별자

CAS: 100367-77-9
PubChem CID: 353965
DTXSID: DTXSID70326608
ChEMBL: CHEMBL5172336
EC Number: 640-217-3
Nikkaji: J2.599.870G

물성

구조 계산 물성

XLogP: 2.5
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: 156

물리화학적 성질

녹는점: 67 · 67-71 °C
끓는 점: 154 °C/13mmHg · 154°C/13mmHg(lit.)
밀도: 1.654 · 1.654±0.06 g/cm3(Predicted)
인화점: 110 ℃ · >110℃
저장 조건: 2 · 2-8°C
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): -1.5 · -1.50±0.10(Predicted)
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C6H6BrNO2S/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3
InChIKey: CNHISCQPKKGDPO-UHFFFAOYSA-N
SMILES: S1C=C(C(OCC)=O)N=C1Br

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (25%)

안전 데이터

wgk: 2
HS 번호: 29341000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-24/25
위험 등급: IRRITANT
위험 참고 사항: Irritant/Keep Cold
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도Ethyl 2-bromothiazole-4-carboxylate is an essential organic reagent that can be used as a building block for the synthesis of many organic compounds, such as 4-Thiazolecarboxylic acid, Ethyl thiazole-4-carboxylate， 2-Bromothiazole-4-carboxylic acid and so on.