에틸5-(클로로메틸)-2-푸란카복실레이트

에틸5-(클로로메틸)-2-푸란카복실레이트 · ethyl 5-(chloroMethyl)furan-2-carboxylate · NSC 97518 · BUTTPARK 96\50-29 · ETHYL 5-(CHLOROMETHYL)-2-FUROATE · Ethyl 5-(chloromethyl)-2-furoate 95+% · Ethyl 5-(chloromethyl)-2-furancarboxy · Ethyl 5-(chloromethyl)-2-furoate, GC 95%

https://huagongshe.com/ko/chemical/263166

식별자 및 물리적 특성

CAS No.	2528-00-9
분자식	C8H9ClO3
평균 분자량	188.61 g/mol
단동위원소 질량	188.02402183 g/mol
SMILES	CCOC(=O)c1ccc(CCl)o1
InChIKey	JBACYJRMCXLIQU-UHFFFAOYSA-N
PubChem CID	263166
EC No.	671-714-3
DTXSID	DTXSID90294638
현지명	에틸5-(클로로메틸)-2-푸란카복실레이트

화학 및 물리적 성질

XLogP	2
극성 표면적	39.4
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	4
무거운 원자 수	12
형식 전하	0
복잡도	160
끓는 점	115 °C0.015 mm Hg(lit.)
밀도	1.225 g/mL at 25 °C(lit.)
굴절률	n20/D 1.511(lit.)
인화점	>230 °F
저장 조건	Keep in dark place,Sealed in dry,Room Temperature
물리적 상태	액체
비중	1.225
색상	맑은 노란색
InChI	1S/C8H9ClO3/c1-2-11-8(10)7-4-3-6(5-9)12-7/h3-4H,2,5H2,1H3
InChIKey	JBACYJRMCXLIQU-UHFFFAOYSA-N
SMILES	CCOC(=O)c1ccc(CCl)o1

화학적 성질

clear yellow liquid

안전 및 규제

GHS 분류	DangerH302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (25%)
수질 위해 등급(WGK)	3
관세 코드	29321900
위험 문구(R)	38
위험 표시	Xi
안전 문구(S)	37
위험 참고 사항	Irritant
저장 분류	10 - Combustible liquids

용도

Ethyl 5-(chloromethyl)-2-furancarboxylate may be employed for the synthesis of a series of novel sulfamide- and urea-based small-molecule antagonists of the protein-protein interaction IL-2/IL-2Rα. It may be employed as starting material for the synthesis of 5-hydroxymethylfuran-2-carboxylic acid.