2,4-ジメチル-5-ニトロベンゼンアミン

2,4-Dimethyl-5-nitroaniline

HCID 228007

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 2124-47-2
標準SMILES: Cc1cc(C)c([N+](=O)[O-])cc1N
InChIKey: DUIOVGPUAJSYCD-UHFFFAOYSA-N
分子式: C8H10N2O2
平均分子量: 166.18 g/mol
単同位体質量: 166.07422756

名称と識別子

優先名称: 2,4-Dimethyl-5-nitroaniline
IUPAC: 2,4-dimethyl-5-nitroaniline
現地名: 2,4-ジメチル-5-ニトロベンゼンアミン
英語名: 2,4-DIMETHYL-5-NITROANILINE
分子式: C8H10N2O2
分子量: 166.18

名称と別名

2,4-Dimethyl-5-nitroanilineDTXSID00281150RefChem:443751DTXCID00232304668-703-02124-47-25-nitro-2,4-xylidineMFCD00025199Benzenamine, 2,4-dimethyl-5-nitro-(2,4-DIMETHYL-5-NITROPHENYL)AMINEAKOS000266063CS-W017863

名称をさらに表示

2,4-ジメチル-5-ニトロアニリン5-ニトロ-2,4-キシリジン2,4-ジメチル-5-ニトロベンゼンアミン5-nitro-2,4-dimethylaniline2,4-Dimethyl-5-nitro-anilin(2,4-dimethyl-5-nitrophenyl)am5-Amino-2,4-dimethylnitrobenzene4-Amino-1,3-dimethyl-6-nitrobenzene

AE-562/43099671Z567852692,4-dimethyl-5-nitrobenzenamine2,4-Dimethyl-5-nitro-anilineNSC20551AM84078A4593FT-0651191

データベース識別子

CAS: 2124-47-2
PubChem CID: 228007
DTXSID: DTXSID00281150
EC Number: 668-703-0
Nikkaji: J141.318J

物性

構造計算による物性

XLogP: 1.8
極性表面積: 71.8 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 178

物理化学的性質

融点: 122 to · 122.0 to 126.0 °C
沸点: 329.4 · 329.4±37.0 °C(Predicted)
比重(密度): 1.22 · 1.220±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: powder to crystal
酸解離定数(Pka): 2.83 · 2.83±0.10(Predicted)
色: Light yellow to Brown

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

hs_code: 2921420090
hazard_code: Xi
hazard_class: IRRITANT

化学と産業

応用分野

使用2,4-Dimethyl-5-nitroaniline is a reagent that is used in the synthesis of symmetric dinitro/tetranitro-functionalized Troger''s bases via heterocyclization of nitroanilines/dinitroanilines with diglycolic acid or paraformaldehyde.