4-Bromo-2-nitrobenzaldehyde

HCID 608099CAS 5551-12-2

基本情報

標準SMILES: O=Cc1ccc(Br)cc1[N+](=O)[O-]
InChIKey: GSXUXSXBEUJRAJ-UHFFFAOYSA-N
分子式: C7H4BrNO3
平均分子量: 230.02 g/mol
単同位体質量: 228.93745509

名称と識別子

優先名称: 4-Bromo-2-nitrobenzaldehyde
IUPAC: 4-bromo-2-nitrobenzaldehyde
英語名: 4-Bromo-1,1-(ethylenedioxo)-indane
分子式: C11H11BrO2
分子量: 255.11

名称と別名

4-Bromo-2-nitrobenzaldehyde5551-12-2DTXSID20920135RefChem:98100DTXCID301349054694-497-7908334-04-3GSXUXSXBEUJRAJ-UHFFFAOYSA-N4-Bromo-2-nitro-benzaldehyde2-Nitro-4-bromobenzaldehydeMFCD00463687SCHEMBL203751

名称をさらに表示

4-Bromo-indan-1-one 1,2-ethanediol ketalSpiro[1,3-dioxolane-2,1'-[1H]indene], 4'-bromo-2',3'-dihydro-

1620233-77-3AKOS015835437CS-W007379EN300-107308Benzaldehyde, 4-bromo-2-nitro-4 - Bromo - 2 - nitro - benzaldehydeAM20050099FT-0600621

データベース識別子

CAS: 5551-12-2、908334-04-3
PubChem CID: 608099
DTXSID: DTXSID20920135
EC Number: 694-497-7
Nikkaji: J1.389.967C

物性

構造計算による物性

XLogP: 2
極性表面積: 62.9 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 192

物理化学的性質

沸点: 335.9 · 335.9±42.0 °C(Predicted)
比重(密度): 1.59 · 1.59±0.1 g/cm3(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.