2,6-ジメチル-4-ニトロベンゼンアミン

2,6-Dimethyl-4-nitroaniline

HCID 28159CAS 16947-63-0

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1cc([N+](=O)[O-])cc(C)c1N
InChIKey: NSBSVUUVECHDDX-UHFFFAOYSA-N
分子式: C8H10N2O2
平均分子量: 166.18 g/mol
単同位体質量: 166.07422757

名称と識別子

優先名称: 2,6-Dimethyl-4-nitroaniline
IUPAC: 2,6-dimethyl-4-nitroaniline
現地名: 2,6-ジメチル-4-ニトロベンゼンアミン
英語名: 2-6-Dimethyl-4-nitroaniline
分子式: C8H10N2O2
分子量: 166.18

名称と別名

2,6-dimethyl-4-nitroanilineRefChem:445686605-554-216947-63-0Benzenamine, 2,6-dimethyl-4-nitro-2,6-DIMETHYL-4-NITROBENZENAMINE2-6-DIMETHYL-4-NITROANILINEMFCD002110682,6-Dimethyl-4-nitro-aniline4-Nitro-2,6-xylidine2,6-Dimethyl-4-nitro-phenylamine2,6-DIMETHYL-4-NITROANALINE

名称をさらに表示

4-ニトロ-2,6-キシリジン2,6-ジメチル-4-ニトロベンゼンアミン2,6-ジメチル-4-ニトロアニリンBENZENE DERIVATIVE(2,6-DIMETHYL-4-NITROANILINE)

2TW9QVR29NNSC-101580NSC101580Lidocaine Impurity 36UNII-2TW9QVR29N2,6-dimethyl-4nitroaniline2,6-Xylidine, 4-nitro-SCHEMBL3600387

データベース識別子

CAS: 16947-63-0
PubChem CID: 28159
DTXSID: DTXSID60168716
UNII: 2TW9QVR29N
EC Number: 605-554-2
Nikkaji: J141.323F

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: 166

物理化学的性質

融点: 165 °C · 165 °C
沸点: 352.6 · 352.6±37.0 °C(Predicted)
比重(密度): 1.22 · 1.220±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C(protect from light)
溶解性: クロロホルム（微量）、酢酸エチル（微量）
外見: 個体
酸解離定数(Pka): 0.76 · 0.76±0.20(Predicted)
色: 茶色

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (97.5%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.