5-氯甲基呋喃-2-甲醛

5-Chloromethylfurfural

HCID 74191CAS 1623-88-7

子结构检索查找相似结构

基本信息

标准SMILES: O=Cc1ccc(CCl)o1
InChIKey: KAZRCBVXUOCTIO-UHFFFAOYSA-N
分子式: C6H5ClO2
平均分子量: 144.55 g/mol
单同位素质量: 143.99780708

概述

structure in first source

名称与标识

首选名称: 5-Chloromethylfurfural
IUPAC: 5-(chloromethyl)furan-2-carbaldehyde
中文名: 5-氯甲基呋喃-2-甲醛
英文名: 5-Chloromethylfurfural
分子式: C6H5ClO2
分子量: 144.56

名称与别名

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

展开更多名称

5-(氯甲基)糠醛5-氯甲基呋喃-2-甲醛5-氯甲基呋喃-2-甲醛(CMF)2-[5-(chloromethyl)-2-furanyl]acetaldehyde

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

数据库标识

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

性质

结构计算性质

XLogP: 0.7
极性表面积: 30.2 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 2
重原子: 9
形式电荷: 0
复杂度: 105

物理化学性质

熔点: 37 °C · 37 °C
沸点: 137 · 137-138 °C(Press: 5 Torr)
密度: 1.295 · 1.295±0.06 g/cm3(Predicted)
储存条件: -20 °C · Inert atmosphere,Store in freezer, under -20°C
溶解度: Chloroform (Slightly), Ethyl Acetate (Slightly)
形态: Dark Brown to Black Oil to Semi-Solid
稳定性: Moisture Sensitive
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化学物质信息: 2 · 2-Furancarboxyaldehyde, 5-(chloromethyl)- (1623-88-7)

安全与法规

GHS分类

GHS Classification · 4 条

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.