2,5-Dichlorobenzaldehyde

HCID 80702CAS 6361-23-5

基本情報

標準SMILES: O=Cc1cc(Cl)ccc1Cl
InChIKey: BUXHYMZMVMNDMG-UHFFFAOYSA-N
分子式: C7H4Cl2O
平均分子量: 175.01 g/mol
単同位体質量: 173.96392011

名称と識別子

優先名称: 2,5-Dichlorobenzaldehyde
IUPAC: 2,5-dichlorobenzaldehyde
英語名: 2,5-DICHLOROBENZALDEHYDE
分子式: C7H5Cl2NO
分子量: 190.03

名称と別名

2,5-Dichlorobenzaldehyde6361-23-5Benzaldehyde, 2,5-dichloro-DTXSID30212992EINECS 228-832-180959-18-8RefChem:4443292,5-dichloro-oximeBenzaldehydeDTXCID60135483112-096-2228-832-12,5-dichloro-benzaldehyde

名称をさらに表示

Benzaldehyde, 2,5-dichloro-, oxime

MFCD001561402.5-Dichlorbenzaldehyd2,5-dichlorbenzaldehydePS-3370BP-10343SY004807F0001-1729A24094

データベース識別子

CAS: 6361-23-5、80959-18-8
PubChem CID: 80702
DTXSID: DTXSID30212992
EC Number: 112-096-2、228-832-1
Nikkaji: J81.204H

物性

構造計算による物性

XLogP: 2.9
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 127

物理化学的性質

沸点: 282.085 · 282.085±30.00 °C(Press: 760.00 Torr)(predicted)
比重(密度): 1.385 · 1.385±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
酸解離定数(Pka): 10.199 · 10.199±0.10(predicted)

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H314 (15.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, 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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]