4-Dimethylamino-2-nitrobenzaldehyde

HCID 291352CAS 56670-20-3

基本情報

標準SMILES: CN(C)c1ccc(C=O)c([N+](=O)[O-])c1
InChIKey: DHLFXZQEAWYQLC-UHFFFAOYSA-N
分子式: C9H10N2O3
平均分子量: 194.19 g/mol
単同位体質量: 194.06914218

名称と識別子

優先名称: 4-Dimethylamino-2-nitrobenzaldehyde
IUPAC: 4-(dimethylamino)-2-nitrobenzaldehyde
英語名: 4-Dimethylamino-2-nitrobenzaldehyde 97
分子式: C9H10N2O3
分子量: 194.19

名称と別名

4-Dimethylamino-2-nitrobenzaldehydeDTXSID10303079RefChem:522520DTXCID90254212623-497-14-(dimethylamino)-2-nitrobenzaldehyde56670-20-3NSC1565464-DIMETHYLAMINO-2-NITROBENZALDEHYDE 974-dimethylamino-2-nitro-benzaldehydeMFCD034271654-(dimethylamino)-2-nitro-benzaldehyde

名称をさらに表示

4-Dimethylamino-2-nitrobenzaldehyde 97

2-nitro-4-dimethylaminobenzaldehydeSCHEMBL1647170DHLFXZQEAWYQLC-UHFFFAOYSA-NNSC-1565464-Dimethylamino-2-nitrobenzaldehyde 97%AS-814474-Dimethylamino-2-nitrobenzaldehyde, 97%Benzaldehyde, 4-(dimethylamino)-2-nitro-

データベース識別子

CAS: 56670-20-3
PubChem CID: 291352
DTXSID: DTXSID10303079
EC Number: 623-497-1
Nikkaji: J3.082.939E

物性

構造計算による物性

XLogP: 1.4
極性表面積: 66.1 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 225

物理化学的性質

融点: 117 °C · 117 °C (dec.) (lit.)
沸点: 365.5 · 365.5±32.0 °C(Predicted)
比重(密度): 1.286 · 1.286±0.06 g/cm3(Predicted)
貯蔵温度: Inert atmosphere,Room Temperature
酸解離定数(Pka): -0.7 · -0.70±0.22(Predicted)
InChI: 1S/C9H10N2O3/c1-10(2)8-4-3-7(6-12)9(5-8)11(13)14/h3-6H,1-2H3
InChIKey: DHLFXZQEAWYQLC-UHFFFAOYSA-N
SMILES: CN(C)c1ccc(C=O)c(c1)[N+]([O-])=O

安全と法規制

GHS分類

GHS Classification · 4 件

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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

使用4-Dimethylamino-2-nitrobenzaldehyde may be used to synthesize the following substituted 4-(dimethylamino)-6-nitrobenzaldehydes:5-chloro-4-(dimethylamino)-2-nitrobenzaldehyde3-chloro-4-(dimethylamino)-2-nitrobenzaldehyde3,5-dichloro-4-(dimethylamino)-6-nitrobenzaldehyde