4-Chloropyridine-2-carboxylic acid ethyl ester

HCID 13015359

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 64064-56-8
표준 SMILES: CCOC(=O)c1cc(Cl)ccn1
InChIKey: MXEIFGRJRCYUDJ-UHFFFAOYSA-N
분자식: C8H8ClNO2
평균 분자량: 185.61 g/mol
단동위원소 질량: 185.02435618

이름 및 식별자

우선 이름: 4-Chloropyridine-2-carboxylic acid ethyl ester
IUPAC: ethyl 4-chloropyridine-2-carboxylate
영어명: 4-Chloropyridine-2-carboxylic acid ethyl ester
분자식: C8H8ClNO2
분자량: 185.61

이름 및 동의어

4-CHLOROPYRIDINE-2-CARBOXYLIC ACID ETHYL ESTERRefChem:522068812-918-6Ethyl 4-chloropicolinate64064-56-8ethyl 4-chloropyridine-2-carboxylateMFCD09702465Ethyl4-chloropicolinateSCHEMBL7436614-chloro-pyridine-2-carboxylic acid ethyl esterETHYL 4-CHLORO-2-PYRIDINECARBOXYLATESCHEMBL4930386

이름 더 보기

4-chloro-2-pyridinecarboxylic acid ethyl ester2-Pyridinecarboxylic acid, 4-chloro-, ethyl ester4-Chloropyridine-2-carboxylic acid ethyl ester ISO 9001：2015 REACH

DTXSID20515247MXEIFGRJRCYUDJ-UHFFFAOYSA-Nethyl 4-chloropyridin-2-carboxylateCL0279AKOS009115073CS-W003624MB07478AS-11348

데이터베이스 식별자

CAS: 64064-56-8
PubChem CID: 13015359
DTXSID: DTXSID20515247
EC Number: 812-918-6

물성

구조 계산 물성

XLogP: 2
극성 표면적: 39.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 163

물리화학적 성질

끓는 점: 278.6 · 278.6±20.0 °C(Predicted)
밀도: 1.245 · 1.245±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): -0.11 · -0.11±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)

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

HS 번호: 2933399990

화학 및 산업

응용 분야

용도Ethyl 4-Chloropicolinate is a reactant in the synthesis of 1,5-naphthyridine aminothiazole and pyrazole derivatives as potent and selective inhibitors of the transforming growth factor-β type I receptor, ALK5.