Ethyl 4,6-dichloropyridine-3-carboxylate

HCID 600045CAS 40296-46-6

기본 정보

표준 SMILES: CCOC(=O)c1cnc(Cl)cc1Cl
InChIKey: AAUBVINEXCCXOK-UHFFFAOYSA-N
분자식: C8H7Cl2NO2
평균 분자량: 220.05 g/mol
단동위원소 질량: 218.98538382

이름 및 식별자

우선 이름: Ethyl 4,6-dichloropyridine-3-carboxylate
IUPAC: ethyl 4,6-dichloropyridine-3-carboxylate
영어명: Ethyl 4,6-dichloronicotinate
분자식: C8H7Cl2NO2
분자량: 220.05

이름 및 동의어

ethyl 4,6-dichloropyridine-3-carboxylateRefChem:595129803-915-0Ethyl 4,6-dichloronicotinate40296-46-64,6-Dichloronicotinic acid ethyl esterMFCD002344084,6-Dichloropyridine-3-carboxylic acid ethyl ester4,6-dichloro-nicotinic acid ethyl ester2,4-dichloro-5-carbethoxypyridineCS-W002558HY-W002558

이름 더 보기

Novobiocin Impurity 5Ethyl 4,6-dichloronitinateEthy14,6-dichloronicotinateEthyl 4,6-dicholoronicotinateEthyl 4,6-Dichloronicotinate >2,4-Dichloro-5-carbethoxypyridineEthyl 4,6-dichloronicotinate ,97%ethyl 4,6-dichloronicotinate (en)

E1068ETHYL 2,4-DICHLOROPYRIDINE-5-CARBOXYLATEEthyl4,6-DiChloronicotinate3-PYRIDINECARBOXYLIC ACID, 4,6-DICHLORO-, ETHYL ESTERFT-0617243ETHYL 4,6-DICHLORO-3-PYRIDINECARBOXYLATESCHEMBL190973orb2940434

데이터베이스 식별자

CAS: 40296-46-6
PubChem CID: 600045
DTXSID: DTXSID40344874
EC Number: 803-915-0
Nikkaji: J89.349H

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 39.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 189

물리화학적 성질

녹는점: 32 · 32-34°
끓는 점: 85 °C/0.01mmHg · 85°C/0.01mmHg(lit.)
밀도: 1.367 · 1.367±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됩니다.
산도 계수 (pKa): -1.24 · -1.24±0.10(Predicted)
물리적 상태: 액체
색상: 노란색
InChI: InChI=1S/C8H7Cl2NO2/c1-2-13-8(12)5-4-11-7(10)3-6(5)9/h3-4H,2H2,1H3
InChIKey: AAUBVINEXCCXOK-UHFFFAOYSA-N
SMILES: C1=NC(Cl)=CC(Cl)=C1C(OCC)=O

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 41 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 CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 29339900
risk_code: 36/37/38
safety_code: 26-36
위험 등급: IRRITANT

화학 및 산업

응용 분야 · 1건

용도Ethyl 4,6-dichloronicotinate is an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals, and dyestuffs. It is also used as a fine chemical intermediate. Ethyl-4,6-dichloronicotinate could be used as a starting material to synthesize 6-chlorothieno[3,2-c]pyridine-2-carbohydrazide-hydrazone subsidiaries[1].