5-클로로메틸푸르푸랄

5-Chloromethylfurfural

HCID 74191CAS 1623-88-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=Cc1ccc(CCl)o1
InChIKey: KAZRCBVXUOCTIO-UHFFFAOYSA-N
분자식: C6H5ClO2
평균 분자량: 144.55 g/mol
단동위원소 질량: 143.99780708

개요

structure in first source

이름 및 식별자

우선 이름: 5-Chloromethylfurfural
IUPAC: 5-(chloromethyl)furan-2-carbaldehyde
현지명: 5-클로로메틸푸르푸랄
영어명: 5-Chloromethylfurfural
분자식: C6H5ClO2
분자량: 144.56

이름 및 동의어

1623-88-75-Chloromethylfurfural5-(Chloromethyl)-2-furaldehyde5-(Chloromethyl)furfural2-Furancarboxaldehyde, 5-(chloromethyl)-5-(Chloromethyl)-2-furfural5-(Chloromethyl)-2-furancarboxaldehydeMXU4UQA8XGEINECS 216-608-65-Chloromethylfuran-2-carbaldehydeDTXSID70167351RefChem:534973

이름 더 보기

5-클로로메틸푸르푸랄2-[5-(chloromethyl)-2-furanyl]acetaldehyde

DTXCID60898425-(chloromethyl)furan-2-carbaldehydeCCRIS 7508MFCD021810845-Chloromethyl furfural2-Formyl-5-chloromethylfuran5-(Chloromethyl)furfuraldehyde5 -chloromethylfurfural

데이터베이스 식별자

CAS: 1623-88-7
PubChem CID: 74191
DTXSID: DTXSID70167351
UNII: MXU4UQA8XG
EC Number: 216-608-6
Nikkaji: J37.048G

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 30.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 9
형식 전하: 0
복잡도: 105

물리화학적 성질

녹는점: 37 °C · 37 °C
끓는 점: 137 · 137-138 °C(Press: 5 Torr)
밀도: 1.295 · 1.295±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
물리적 상태: 암갈색에서 흑색 오일에서 반고체까지
안정성: 수분에 민감한
InChI: InChI=1S/C6H5ClO2/c7-3-5-1-2-6(4-8)9-5/h1-2,4H,3H2
InChIKey: KAZRCBVXUOCTIO-UHFFFAOYSA-N
SMILES: O1C(CCl)=CC=C1C=O
EPA: 2 · 2-Furancarboxyaldehyde, 5-(chloromethyl)- (1623-88-7)

화학적 성질

Dark Brown Oil

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H227 (75%): Combustible liquid [Warning Flammable liquids]

P203, P210, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P363, P370+P378, P403, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 4 (75%)

안전 데이터

HS 번호: 2932190090

화학 및 산업

응용 분야 · 1건

일반 설명5-(Chloromethyl) Furfural (CMF) is a potential chemical building block for replacing petroleum-derived chemicals derived from lignocellulosic feedstocks. It is gaining traction as a more practical alternative to 5-(hydroxymethyl)furfural (HMF).