2-Methyl-2-nitropropane (HCID 11672)

名称と識別子

優先名称: 2-Methyl-2-nitropropane
IUPAC: 2-methyl-2-nitropropane
現地名: 2-メチル-2-ニトロプロパン
英語名: 2-Methyl-2-nitropropane
分子式: C4H9NO2
分子量: 103.12

名称と別名

2-METHYL-2-NITROPROPANE594-70-72-NitroisobutanePropane, 2-methyl-2-nitro-Trimethylnitromethane2-Nitro-2-methylpropanetert-Nitrobutane1,1-Dimethyl-1-nitroethaneCCRIS 5044NSC 3651EINECS 209-851-4UNII-9DKH5L679Z

名称をさらに表示

2-メチル-2-ニトロプロパン2-ニトロ-2-メチルプロパン1,1-ジメチル-1-ニトロエタン2‐メチル‐2‐ニトロプロパンT-ニトロブタンnitrotert-butaneNitro-tert.-butant-Nitrobutane (t-NB)tert-Nitrobutane,98+%Trimethylnitro-methanePF-07321332 Impurity 7

9DKH5L679ZNSC-3651(CH3)3CNO2DTXSID0060488NitrotertbutanetertNitrobutane2Nitroisobutane2Nitro2methylpropane

データベース識別子

CAS: 594-70-7
PubChem CID: 11672
DTXSID: DTXSID0060488
UNII: 9DKH5L679Z
EC Number: 209-851-4
Nikkaji: J471E

物性

構造計算による物性

XLogP: 1.2
極性表面積: 45.8 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 7
形式電荷: 0
複雑度: 76.7

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Nitros, Aliphatic

SpringerMaterials PropertiesSchoenflies notation

LogP1.01

Physical DescriptionMelting point = 26.23 deg C; [ChemIDplus] Colorless liquid; [Acros Organics MSDS] Colorless low melting solid; mp = 27-31 deg C; [Alfa Aesar MSDS]

物理化学的性質

融点: 24 °C · 24 °C
沸点: 126 · 126-127 °C (lit.)
比重(密度): 0.95 g/mL · 0.95 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.4(lit.)
闪点: 67 °F · 67 °F
貯蔵温度: Flammables area
外見: 結晶性粉末、結晶、またはフレーク
色: 白い
水溶解度: 不溶性
BRN: 1744184 · 1744184
Dielectric constant: 23.68 · 23.68
InChI: 1S/C4H9NO2/c1-4(2,3)5(6)7/h1-3H3
InChIKey: AIMREYQYBFBEGQ-UHFFFAOYSA-N
SMILES: CC(C)(C)[N+]([O-])=O
NISTの化学物質情報: 2 · Propane, 2-methyl-2-nitro-(594-70-7)
EPAの化学物質情報: 2 · Propane, 2-methyl-2-nitro- (594-70-7)

化学的性質

化学的特性clear colourless liquid after melting

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (86.7%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 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

Hazards SummaryMay cause irritation, CNS depression, and cardiac disturbances; [Acros Organics MSDS] An irritant; [Alfa Aesar MSDS] See 2-Nitropropane, a primary hepatotoxin.

Hazard Classes and CategoriesFlam. Liq. 2 (86.7%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 2
hs_code: 29049090
risk_code: 11-36/37/38
消防法: 危-4-1-II
hazard_code: F,Xi
safety_code: 16-26-36/37/39-37/39
hazard_class: 4.1
packing_group: II
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing InformationPropane, 2-methyl-2-nitro-: INACTIVE

応用分野

使用2-Methyl-2-nitropropane is a useful reagent in the preparation of various other chemical compounds including amines, alkynylnitrones, amides and nitriles.

一般的な説明Photodissociation of 2-methyl-2-nitropropane at 193 and 248nm leads to the formation of OH fragment and electronically excited NO2. Hydrolysis reaction of 2-methyl-2-nitropropane in the presence of platinum-alumina catalyst yields N2O.