5-(2-氯苯基)糠醛

5-(2-Chlorophenyl)furfural

HCID 609821CAS 34035-04-6

子结构检索查找相似结构

基本信息

标准SMILES: O=Cc1ccc(-c2ccccc2Cl)o1
InChIKey: ONQOZTFAOFZDFK-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-(2-Chlorophenyl)furfural
IUPAC: 5-(2-chlorophenyl)furan-2-carbaldehyde
中文名: 5-(2-氯苯基)糠醛
英文名: 5-(2-Chlorophenyl)furfural
分子式: C11H7ClO2
分子量: 206.63

名称与别名

5-(2-Chlorophenyl)furfuralRefChem:529441622-983-034035-04-65-(2-chlorophenyl)furan-2-carbaldehyde5-(2-Chlorophenyl)-2-furaldehydeMFCD002165852-Furancarboxaldehyde, 5-(2-chlorophenyl)-SCHEMBL16162995-(2-Chlorophenyl)furfural, 95%STK0704735-(2-chloro-phenyl)furan-2-aldehyde

展开更多名称

5-(2-氯苯基)糠醛5-(2-氯苯基)-2-呋喃甲醛5-(2-氯苯基)呋喃-2-甲醛5-(2-氯苯基)-呋喃-2-甲醛2-呋喃甲醛,5-(2-氯苯基)-C913579,5-(2-氯苯基)糠醛,34035-04-6AKOS B019753AKOS BAR-0550AURORA KA-4220ASISCHEM N39057TIMTEC-BB SBB0004625-(2-Chlorophenyl)furfural 95%5-(2-CHLOROPHENYL)-2-FURANCARBOXALDEHYDE

SB61112CS-03084016F-027Z568603465-(2-Chloro-phenyl)-furan-2-carbaldehydeFT-0639151SCHEMBL6010130CHEMBL4455950

数据库标识

CAS: 34035-04-6
PubChem CID: 609821
DTXSID: DTXSID90346121
ChEMBL: CHEMBL4455950
EC Number: 622-983-0
Nikkaji: J1.681.676K

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: 68 · 68-72 °C (lit.)
沸点: 333.3 · 333.3±32.0 °C(Predicted)
密度: 1.282 · 1.282±0.06 g/cm3(Predicted)
InChI: 1S/C11H7ClO2/c12-10-4-2-1-3-9(10)11-6-5-8(7-13)14-11/h1-7H
InChIKey: ONQOZTFAOFZDFK-UHFFFAOYSA-N
SMILES: Clc1ccccc1-c2ccc(C=O)o2
CAS 数据库: 34035 · 34035-04-6(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.