에틸숙신일클로라이드

에틸숙신일클로라이드 · 에틸 석신일 클로라이드 · Ethyl 4-chloro-4-oxobutanoate · Ethyl succinoyl chloride · ETHYL 4-CHLORO-4-OXOBUTYRATE · ETHYL 3-(CHLOROFORMYL)PROPIONATE · Butanoic acid, 4-chloro-4-oxo-, ethyl ester · SKL1293

https://huagongshe.com/ko/chemical/84648

식별자 및 물리적 특성

CAS No.	14794-31-1
분자식	C6H9ClO3
평균 분자량	164.59 g/mol
단동위원소 질량	164.0240218 g/mol
SMILES	CCOC(=O)CCC(=O)Cl
InChIKey	IXZFDJXHLQQSGQ-UHFFFAOYSA-N
PubChem CID	84648
EC No.	238-855-9
DTXSID	DTXSID4065818
현지명	에틸숙신일클로라이드

화학 및 물리적 성질

XLogP	1.5
극성 표면적	43.4
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	5
무거운 원자 수	10
형식 전하	0
복잡도	133
끓는 점	88-90 °C11 mm Hg(lit.)
밀도	1.155 g/mL at 25 °C(lit.)
증기압	48.2Pa at 25℃
굴절률	n20/D 1.437(lit.)
인화점	184 °F
저장 조건	2-8°C
용해도	soluble in Chloroform, Ethyl Acetate
물리적 상태	액체
비중	1.144 to 1.17
색상	무색~황색으로 투명함
용해도	59.01g/L at 25℃
BRN	1766126
InChI	1S/C6H9ClO3/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3
InChIKey	IXZFDJXHLQQSGQ-UHFFFAOYSA-N
SMILES	CCOC(=O)CCC(Cl)=O
LogP(분배 계수)	0.05
NIST	Butanoic acid, 4-chloro-4-oxo-, ethyl ester(14794-31-1)
EPA	Butanoic acid, 4-chloro-4-oxo-, ethyl ester (14794-31-1)

화학적 성질

clear colourless to yellow liquid

안전 및 규제

GHS 분류	DangerH302 (11.5%): Harmful if swallowed [Warning Acute toxicity, oral]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
규제 정보	Status: Active Update: 05-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19413Butanoic acid, 4-chloro-4-oxo-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Acute Tox. 4 (11.5%)Skin Corr. 1C (100%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
운송 번호(UN)	UN 3265 8/PG 2
관세 코드	29171990
위험 문구(R)	34-36/37-14
위험 표시	C
안전 문구(S)	26-27-36/37/39-45-24/25
포장분류	II
위험 등급	8Skin Corr. 1B
저장 분류	8A - Combustible corrosive hazardous materials

용도

Ethyl 4-chloro-4-oxobutyrate was used in the synthesis of:polymer-supported bifunctional catalystsuccinimidyl ester of benzo(a)pyrenesuccinate prodrugs of curcuminoids