5-(3-氯苯)糠醛

5-(3-Chlorophenyl)furfural

HCID 609822CAS 22078-59-7

子结构检索查找相似结构

基本信息

标准SMILES: O=Cc1ccc(-c2cccc(Cl)c2)o1
InChIKey: FIGLPGGFAIZKFQ-UHFFFAOYSA-N
分子式: C11H7ClO2
平均分子量: 206.62 g/mol
单同位素质量: 206.01345714

名称与标识

首选名称: 5-(3-Chlorophenyl)furfural
IUPAC: 5-(3-chlorophenyl)furan-2-carbaldehyde
中文名: 5-(3-氯苯)糠醛
英文名: 5-(3-Chlorophenyl)-2-furaldehyde
分子式: C11H7ClO2
分子量: 206.63

名称与别名

5-(3-Chlorophenyl)furfuralRefChem:529865624-320-022078-59-75-(3-Chlorophenyl)-2-furaldehyde5-(3-chlorophenyl)furan-2-carbaldehydeMFCD002147732-Furancarboxaldehyde, 5-(3-chlorophenyl)-5-(3-Chloro-phenyl)-furan-2-carbaldehyde5-(3-chlorophenyl)-furfuralSCHEMBL624327CHEMBL4471594

展开更多名称

5-(3-氯苯)糠醛5-(3-氯苯基)糠醛5-(3-氯苯基)-2-呋喃醛5-(3-氯苯基)-2-呋喃甲醛5-(3-氯苯基)呋喃-2-甲醛2-呋喃甲醛,5-(3-氯苯基)-PERFEMIKER]5-(3-氯苯)糠醛,95%AKOS B015974AKOS BAR-0549AURORA KA-4240ASISCHEM N43033TIMTEC-BB SBB003483ART-CHEM-BB B0159745-(3-CHLOROPHENYL)-2-FURANCARBOXALDEHYDE

DTXSID503461225-(3-Chlorophenyl)furfural, 95%ALBB-001099BBL012748SBB003483STK0598055-(3-Chlorophenyl)-2-furaldehyde #AKOS000108204

数据库标识

CAS: 22078-59-7
PubChem CID: 609822
DTXSID: DTXSID50346122
ChEMBL: CHEMBL4471594
EC Number: 624-320-0
Nikkaji: J2.144.413H

性质

结构计算性质

XLogP: 3.1
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: 14
形式电荷: 0
复杂度: 207

物理化学性质

熔点: 109 · 109-111 °C(lit.)
沸点: 354.7 · 354.7±32.0 °C(Predicted)
密度: 1.282 · 1.282±0.06 g/cm3(Predicted)
InChI: 1S/C11H7ClO2/c12-9-3-1-2-8(6-9)11-5-4-10(7-13)14-11/h1-7H
InChIKey: FIGLPGGFAIZKFQ-UHFFFAOYSA-N
SMILES: Clc1cccc(c1)-c2ccc(C=O)o2
CAS 数据库: 22078 · 22078-59-7(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 4 条

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全数据

wgk: 3
危险等级: IRRITANT
存储类别: 11 - Combustible Solids
安全说明: 26-36
海关编码: 2932190090
危险品标志: Xi
危险性类别: Eye Irrit. 2Skin Irrit. 2STOT SE 3
危险类别码: 36/37/38

化学与工业

供应商36 家

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]

Syntechem Co.,Ltd[email protected]

北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

关联笔记

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