230731
硝基甲烷
ReagentPlus®, ≥99.0%
别名:
Nitrocarbol
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关于此项目
经验公式（希尔记法）:
CH3NO2
化学文摘社编号:
分子量:
61.04
Beilstein:
1698205
EC 号:
MDL编号:
UNSPSC代码:
12352102
PubChem化学物质编号:
NACRES:
NA.21
蒸汽密度
2.1 (vs air)
质量水平
蒸汽压
2.7 mmHg
产品线
ReagentPlus®
方案
≥99.0%
表单
liquid
自燃温度
784 °F
expl. lim.
7.3 %, 33 °F
dilution
(for general lab use)
折射率
n20/D 1.382 (lit.)
pH值（酸碱度）
6.4 (20 °C, 0.01 g/L)
沸点
101.2 °C (lit.)
mp
−29 °C (lit.)
密度
1.127 g/mL at 25 °C (lit.)
SMILES字符串
C[N+]([O-])=O
InChI
1S/CH3NO2/c1-2(3)4/h1H3
InChI key
LYGJENNIWJXYER-UHFFFAOYSA-N
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一般描述
Nitromethane (CH3NO2) is the simplest nitro organic compound used for a wide range of applications, including as polar solvents to racing fuel. It serves as a solvent for organic chemistry and as a valuable building block for various useful compounds like nitroalkanes, β-nitroalcohols, nitroalkenes, carbonyl compounds, amines, and heterocycles. In industry, nitromethane can be used to stabilize halogenated hydrocarbons.
应用
Nitromethane can be used:
- As a reagent in the synthesis of 3-nitroindoles by arylation with N-(2-bromoaryl) imidates using palladium catalyst.
- As a cyanating reagent for the synthesis of thiocyanates in presence of base (KOAc) and iodine.
- In the preparation of cobalt cage complexes from polyamines and formaldehyde.
- As a solvent in the preparation of β-substituted γ-nitroaldehydes by enantioselective cross-coupling of β-arylated or γ,δ-unsaturated aldehydes using oxidizing agent DDQ (2,3-dichloro-5,6-dicyanoquinone) and catalyst diphenylprolinol silyl ether.
特点和优势
Nitromethane as high energy monopropellant exhibits
- Low toxicity.
- High specific impulse.
法律信息
ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany
警示用语：
Warning
危险分类
Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Carc. 2 - Flam. Liq. 3 - Repr. 2
储存分类代码
4.1A - Other explosive hazardous materials
WGK
WGK 2
闪点(°F)
95.0 °F - closed cup
闪点(°C)
35 °C - closed cup
法规信息
易制爆化学品
危险化学品
此项目有
Metal ion encapsulation: cobalt cages derived from polyamines, formaldehyde, and nitromethane.
Geue RJ, et al.
Journal of the American Chemical Society, 106(19), 5478-5488 (1984)
The catalytic chemistry of nitromethane over Co-ZSM5 and other catalysts in connection with the methane-NOxSCR reaction.
Cowan AD, et al.
J. Catal., 176(2), 329-343 (1998)
Density-dependent liquid nitromethane decomposition: molecular dynamics simulations based on ReaxFF.
Naomi Rom et al.
The journal of physical chemistry. A, 115(36), 10181-10202 (2011-08-05)
The decomposition mechanism of hot liquid nitromethane at various compressions was studied using reactive force field (ReaxFF) molecular dynamics simulations. A competition between two different initial thermal decomposition schemes is observed, depending on compression. At low densities, unimolecular C-N bond
Huachang Hong et al.
The Science of the total environment, 444, 196-204 (2012-12-29)
The formations of THMs, HAAs, and HNMs from chlorination and chloramination of water from Jinlan Reservoir were investigated in this study. Results showed that monochloramine rather than chlorine generally resulted in lower concentration of DBPs, and the DBPs formation varied
Junhong Shan et al.
Chemosphere, 86(4), 323-328 (2011-11-01)
In this study, the effects of pH, bromide and nitrite on the formation of halonitromethanes (HNMs) and trihalomethanes (THMs) from eight amino acids (glycine, alanine, serine, cysteine, aspartic acid, glutamic acid, lysine and histidine) and four amino sugars (glucosamine, galactosamine
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