에틸5-(클로로메틸)-2-푸란카복실레이트

Ethyl 5-(chloromethyl)-2-furancarboxylate

HCID 263166CAS 2528-00-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)c1ccc(CCl)o1
InChIKey: JBACYJRMCXLIQU-UHFFFAOYSA-N
분자식: C8H9ClO3
평균 분자량: 188.61 g/mol
단동위원소 질량: 188.02402183

이름 및 식별자

우선 이름: Ethyl 5-(chloromethyl)-2-furancarboxylate
IUPAC: ethyl 5-(chloromethyl)furan-2-carboxylate
현지명: 에틸5-(클로로메틸)-2-푸란카복실레이트
영어명: Ethyl 5-(chloromethyl)-2-furancarboxylate
분자식: C8H9ClO3
분자량: 188.61

이름 및 동의어

Ethyl 5-(chloromethyl)-2-furancarboxylateRefChem:595589671-714-32528-00-9ethyl 5-(chloromethyl)furan-2-carboxylateethyl 5-(chloromethyl)-2-furoateEthyl 5-Chloromethyl-2-furancarboxylateEthyl 5-chloromethyl-2-furoateMFCD001738375-Chloromethyl-2-furancarboxylic Acid Ethyl EsterNSC975182-Furancarboxylic acid, 5-(chloromethyl)-, ethyl ester

이름 더 보기

에틸5-(클로로메틸)-2-푸란카복실레이트NSC 97518BUTTPARK 96\50-29Ethyl 5-(chloromethyl)-2-furoate 95+%Ethyl 5-(chloromethyl)-2-furancarboxyEthyl 5-(chloromethyl)-2-furoate, GC 95%5-(chloromethyl)-3-ethyl-2-furancarboxylateEthyl 5-Chloromethyl-2-furancarboxylate >

SCHEMBL852957ethyl 2-chloromethyl-5-furoateDTXSID90294638JBACYJRMCXLIQU-UHFFFAOYSA-NGEO-01329NSC-97518SBB054930AKOS002663472

데이터베이스 식별자

CAS: 2528-00-9
PubChem CID: 263166
DTXSID: DTXSID90294638
EC Number: 671-714-3
Nikkaji: J790.267K

물성

구조 계산 물성

XLogP: 2
극성 표면적: 39.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 12
형식 전하: 0
복잡도: 160

물리화학적 성질

끓는 점: 115 °C0.015 · 115 °C0.015 mm Hg(lit.)
밀도: 1.225 g/mL · 1.225 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.511(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 액체
Specific Gravity: 1.225 · 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

GHS Classification · 4건

Danger

H302 (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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (25%)

안전 데이터

wgk: 3
HS 번호: 29321900
risk_code: 38
hazard_code: Xi
safety_code: 37
위험 참고 사항: Irritant
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도Ethyl 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.