Ethyl 4,6-dichloropyridine-3-carboxylate

ethyl 4,6-dichloropyridine-3-carboxylate · Novobiocin Impurity 5 · Ethyl 4,6-dichloronitinate · Ethy14,6-dichloronicotinate · ETHYL 4,6-DICHLORONICOTINATE · Ethyl 4,6-dicholoronicotinate · Ethyl 4,6-Dichloronicotinate >2,4-Dichloro-5-carbethoxypyridine · Ethyl 4,6-dichloronicotinate ,97%

https://huagongshe.com/ko/chemical/600045

Ethyl 4,6-dichloropyridine-3-carboxylate 분자 구조식

식별자 및 물리적 특성

CAS No.	40296-46-6
분자식	C8H7Cl2NO2
평균 분자량	220.05 g/mol
단동위원소 질량	218.98538382 g/mol
SMILES	CCOC(=O)c1cnc(Cl)cc1Cl
InChIKey	AAUBVINEXCCXOK-UHFFFAOYSA-N
PubChem CID	600045
EC No.	803-915-0
DTXSID	DTXSID40344874

화학 및 물리적 성질

XLogP	2.7
극성 표면적	39.2
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	3
무거운 원자 수	13
형식 전하	0
복잡도	189
녹는점	32-34°
끓는 점	85°C/0.01mmHg(lit.)
밀도	1.367±0.06 g/cm3(Predicted)
저장 조건	Keep in dark place,Sealed in dry,Room Temperature
용해도	메탄올에 용해됩니다.
pKa(산도 계수)	-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	WarningH315 (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.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
관세 코드	29339900
위험 문구(R)	36/37/38
안전 문구(S)	26-36
위험 등급	IRRITANT

용도

Ethyl 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].