CAS 37831-62-2 Ethyl 4-chloropyridine-3-carboxylate (HCID 14116704)

기본 정보

CAS: 37831-62-2
표준 SMILES: CCOC(=O)c1cnccc1Cl
InChIKey: STYWLPMGYBPSRJ-UHFFFAOYSA-N
분자식: C8H8ClNO2
평균 분자량: 185.61 g/mol
단동위원소 질량: 185.0243562

이름 및 식별자

우선 이름: Ethyl 4-chloropyridine-3-carboxylate
IUPAC: ethyl 4-chloropyridine-3-carboxylate
영어명: Ethyl 4-chloro-3-pyridinecarboxylate
분자식: C8H8ClNO2
분자량: 185.61

이름 및 동의어

37831-62-2ethyl 4-chloropyridine-3-carboxylateDTXSID30556121RefChem:343923DTXCID30506904819-254-6Ethyl 4-Chloronicotinate4-chloro-nicotinic acid ethyl esterMFCD056640283-Pyridinecarboxylic acid, 4-chloro-, ethyl esterEthyl 4-chloro-nicotinateSCHEMBL873827

이름 더 보기

Ethyl-Chloronicotinate4-CHLORONICOTINIC ACID ETHYL ESTEREthyl 4-chloro-3-pyridinecarboxylate4-Chloropyridine-3-carboxylic acid ethyl ester4-CHLORO-NICOTINIC ACID ETHYL ESTER HYDROCHLORIDE4-CHLORO-NICOTINIC ACID ETHYL ESTER HYDROCHLORIDE ISO 9001：2015 REACHEthyl 4-chloropyridine-3-carboxylate, 4-Chloro-3-(ethoxycarbonyl)pyridine

Ethyl 4-chloronicotinate, 97%SCHEMBL164471964-chloro-3-ethoxycarbonylpyridineSTYWLPMGYBPSRJ-UHFFFAOYSA-NSBB053818AKOS006293962TS-02588DB-016627

데이터베이스 식별자

CAS: 37831-62-2
PubChem CID: 14116704
DTXSID: DTXSID30556121
EC Number: 819-254-6
Nikkaji: J634.399F

물성

구조 계산 물성

XLogP: 1.7
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: 70 · 70-76℃/0.1Torr
밀도: 1.245 · 1.245±0.06 g/cm3(Predicted)
산도 계수 (pKa): 1.81 · 1.81±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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

ridadr: 2735
HS 번호: 2933399990
포장분류: Ⅲ
위험 등급: 8

화학 및 산업

응용 분야

용도Ethyl 4-Chloronicotinate was used in the synthesis of nicotinamide analogs and 4-Benzofuranyloxynicotinamide derivatives as potential therapeutic agents.