1-Methyl-3-nitroguanidine

Basic Information

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CAS Number

4245-76-5

Molecular Formula

C2H6N4O2

Molecular Weight

118.1 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

158.0 to 162.0 deg-C

Boiling Point

220.6°C (rough estimate)

Refractive Index

1.6000 (estimate)

SMILES

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CN=C(N)N[N+](=O)[O-]

InChI

InChI=1S/C2H6N4O2/c1-4-2(3)5-6(7)8/h1H3,(H3,3,4,5)

InChIKey

XCXKNNGWSDYMMS-UHFFFAOYSA-N

LogP

0.32660

Complexity

114

Safety Information

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GHS Hazard Pictograms

H228

H302

H312

H315

H319

H332

H335

Hazard Statement

H228 Flammable solid
Flammable solids

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 4.1 Class 4.1

Synonyms & References

English

Q17578672
LS-12941
4245-76-5
2-methyl-1-nitroguanidine
SCHEMBL422868
N''-METHYL-N-NITROGUANIDINE
1-Methyl-3-nitroguanidine
MFCD00024167
1-Methyl-3-nitro-guanidine
AKOS015995401
DTXSID70195230
CS-0015761
FT-0656957
METHYL-3-NITROGUANIDINE, 1-
AKOS003397414
J-504928
1-methyl-2-nitroguanidine
D87774
MNQ
N-Methyl-N-nitroguanidine
Methylnitroguanidine
(E)-N-Methyl[oxido(oxo)hydrazono]methanediamine
1-methyl-3-nitro-guanidin
Guanidine, 1-methyl-3-nitro-
Guanidine, N-methyl-N'-nitro-
N-METHYL-N'-NITROGUANIDINE
1-METHYL-3-NITROGUANIDINE
1-Methyl-3-nitorguanidine
N'-Nitro-N-methylguanidine
1-METHYL-3-NITRO-1-NITROGUANIDINE
1-methyl-3-nitroguanidine (contains ca. 25% water

MDL Number

MFCD00024167

Customs Code

2925290090

FAQ

What is 1-Methyl-3-nitroguanidine (CAS: 4245-76-5)?

1-Methyl-3-nitroguanidine is an organic compound with the chemical formula C2H6N4O2. It is a white crystalline solid that is typically used as an intermediate in chemical synthesis. The compound is known for its nitro group and guanidine functionality, which contribute to its reactivity and utility in various chemical applications.

What are the main uses of 1-Methyl-3-nitroguanidine (CAS: 4245-76-5)?

1-Methyl-3-nitroguanidine finds applications in pharmaceutical research, agrochemical development, and specialty chemical manufacturing. It is used as a precursor for the synthesis of various derivatives, including nitrated guanidines, which have potential uses in drug development and industrial processes. Its unique chemical structure also makes it relevant in research for new materials and functional compounds.

Is 1-Methyl-3-nitroguanidine (CAS: 4245-76-5) safe?

1-Methyl-3-nitroguanidine is considered hazardous due to its potential to release toxic gases upon decomposition. It should be handled with care, using appropriate personal protective equipment (PPE) such as gloves and goggles. Safety data sheets (SDS) recommend avoiding prolonged exposure and ensuring proper ventilation. Regulatory standards emphasize the need for controlled storage and handling to minimize risks.

How should 1-Methyl-3-nitroguanidine (CAS: 4245-76-5) be stored?

1-Methyl-3-nitroguanidine should be stored in a cool, dry, and well-ventilated area, away from incompatible substances. It is typically kept in sealed containers at temperatures below 25°C. Protection from moisture and light is essential to maintain its stability and prevent degradation. Storage should follow hazardous material guidelines to ensure safety.