N-メチル-2-ニトロアニリン

Benzenamine, N-methyl-2-nitro-

HCID 69157CAS 612-28-2

部分構造検索類似構造を探す

基本情報

標準SMILES: CNc1ccccc1[N+](=O)[O-]
InChIKey: KFBOUJZFFJDYTA-UHFFFAOYSA-N
分子式: C7H8N2O2
平均分子量: 152.15 g/mol
単同位体質量: 152.0585775

名称と識別子

優先名称: Benzenamine, N-methyl-2-nitro-
IUPAC: N-methyl-2-nitroaniline
現地名: N-メチル-2-ニトロアニリン
英語名: N-Methyl-2-nitroaniline
分子式: C7H8N2O2
分子量: 152.15

名称と別名

N-Methyl-2-nitroaniline612-28-2N-Methyl-o-nitroanilineBenzenamine, N-methyl-2-nitro-o-Nitro-N-methylaniline2-Nitro-N-methylanilineo-(Methylamino)nitrobenzeneAniline, N-methyl-o-nitro-N-Methyl-2-nitrobenzenamineEINECS 210-303-1NSC 86672BRN 2209110

名称をさらに表示

N-メチル-2-ニトロアニリンTelmisartan Impurity V1-METHYL-2-NITROANILINEn-methyl-o-nitro-anilinTelmisartan Impurity 14o-Nitro-N-methyl aniline2-METHYLAMINONITROBENZENE

DTXSID4060608RefChem:561997DTXCID2042981210-303-1InChI=1/C7H8N2O2/c1-8-6-4-2-3-5-7(6)9(10)11/h2-5,8H,1HN-Methyl 2-nitroanilinemethyl(2-nitrophenyl)amineMFCD00007090

データベース識別子

CAS: 612-28-2
PubChem CID: 69157
DTXSID: DTXSID4060608
UNII: DT8RVN6PBT
EC Number: 210-303-1
Nikkaji: J95.688K

物性

構造計算による物性

XLogP: 2.2
極性表面積: 57.9 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: 1
重原子数: 11
形式電荷: 0
複雑度: 144

実験および物理化学的性質

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP2.18

物理化学的性質

融点: 35 · 35-38 °C (lit.)
沸点: 294.61 °C · 294.61°C (rough estimate)
比重(密度): 1.2333 · 1.2333 (estimate)
屈折率: 1.6276 · 1.6276 (estimate)
闪点: 230 °F · >230 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: Chloroform (Slightly), Methanol (Slightly)
外見: Low-Melting Solid
酸解離定数(Pka): -0.49 · -0.49±0.25(Predicted)
色: Orange to Red
InChI: 1S/C7H8N2O2/c1-8-6-4-2-3-5-7(6)9(10)11/h2-5,8H,1H3
InChIKey: KFBOUJZFFJDYTA-UHFFFAOYSA-N
SMILES: CNc1ccccc1[N+]([O-])=O
LogP: 0.972 · 0.972
CAS データベース: 612 · 612-28-2(CAS DataBase Reference)
EPAの化学物質情報: -2 · Benzenamine, N-methyl-2-nitro- (612-28-2)

化学的性質

化学的特性Redish Powder

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, 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.

危険有害性情報

Regulatory InformationStatus: Active Update: 05-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30005

Hazard Classes and CategoriesAcute Tox. 3 (100%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: BY5710000
ridadr: 2811
risk_code: 23/24/25-33
hazard_code: T,Xi
safety_code: 36/37-45
hazard_class: 6.1
packing_group: II
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralSTOT RE 2
ストレージクラス: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

化学と産業

用途と製造

General Manufacturing InformationBenzenamine, N-methyl-2-nitro-: ACTIVE

応用分野 · 2 件

使用N-Methyl-2-nitroaniline was used in the determination of the polarities of ionic liquids using the Kamlet-Taft empirical polarity scales. It was also employed in characterization of the octadecyl-derivatized silica stationary phase and the corresponding mobile phases used in reversed-phase liquid chromatography.

一般的な説明N-Methyl-2-nitroaniline is a solvatochromic dye.