1-(2-Methyl-5-nitrophenyl)guanidine nitrate (1:1)

Basic Information

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CAS Number

152460-08-7

Molecular Formula

C8H11N5O5

Molecular Weight

257.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

218°C

Boiling Point

426.7°C at 760 mmHg

SMILES

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CC1=C(C=C(C=C1)[N+](=O)[O-])N=C(N)N.[N+](=O)(O)[O-]

InChI

InChI=1S/C8H10N4O2.HNO3/c1-5-2-3-6(12(13)14)4-7(5)11-8(9)10;2-1(3)4/h2-4H,1H3,(H4,9,10,11);(H,2,3,4)

InChIKey

IINMQQJNRFDBMV-UHFFFAOYSA-N

LogP

2.88890

Complexity

269

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

Guanidine, (2-methyl-5-nitrophenyl)-, mononitrate
NS00024966
L8E7R6V5T4
DTXSID40468100
1-(2-Methyl-5-nitrophenyl)guanidine nitrate
AC-6914
N-(2-Methyl-5-nitrophenyl)guanidine nitrate
(2-Methyl-5-nitrophenyl)guanidine nitrate
AKOS015889946
M2613
2-(2-methyl-5-nitrophenyl)guanidine;nitric acid
CS-0153573
IINMQQJNRFDBMV-UHFFFAOYSA-N
2-methyl-5-nitrophenyl guanidine nitrate
1-(2-Methyl-5-nitrophenyl)guanidinenitrate
J-500863
C8H11N5O5
SCHEMBL1717
1-(2-methyl-5-nitrophenyl) guanidine nitrate
N-(2-Methyl-5-nitrophenyl)guanidine Nitrate; 5-Nitro-2-methylphenylguanidine Nitrate; Guanidine, N-(2-methyl-5-nitrophenyl)-, nitrate (1:1); Guanidine, (2-methyl-5-nitrophenyl)-, mononitrate (9CI); (2-Methyl-5-nitrophenyl)guanidine nitrate; 1-(2-Methyl-5-nitrophenyl)guanidine Nitrate
MFCD09842424
Guanidine, N-(2-methyl-5-nitrophenyl)-, nitrate (1:1)
SY060421
n-(2-methyl-5-nitro-phenyl)-guanidine nitric acid salt
3-Nitro-6-methylphenylguanidine Nitrate
2-methyl-5-nitrophenyl-guanidine nitrate
152460-08-7
2-methyl-5-nitrophenylguanidine nitrate
AM20030036
5-Nitro-2-methylphenylguanidine Nitrate
FT-0657530

MDL Number

MFCD09842424

Customs Code

2925290090

FAQ

What are the physical and chemical properties of 1-(2-Methyl-5-nitrophenyl)guanidine nitrate (CAS: 152460-08-7)?

1-(2-Methyl-5-nitrophenyl)guanidine nitrate (1:1) is a crystalline compound with a molecular weight of approximately 350.12 g/mol. It has a high solubility in water and organic solvents. Chemically, it is known for its reactivity towards nucleophiles and its stability under neutral and slightly acidic conditions. The compound is not highly reactive but can decompose under strong heat or light conditions, releasing nitrogen oxides and other gases.

How is 1-(2-Methyl-5-nitrophenyl)guanidine nitrate (CAS: 152460-08-7) typically synthesized?

1-(2-Methyl-5-nitrophenyl)guanidine nitrate (1:1) is typically synthesized by the nitration of 2-methyl-5-nitroaniline with nitric acid in the presence of a strong acid catalyst. The reaction yields a 1:1 nitrate complex with high selectivity and a yield of around 85%. The process requires careful temperature control to prevent side reactions and decomposition.

What industries use 1-(2-Methyl-5-nitrophenyl)guanidine nitrate (CAS: 152460-08-7)?

1-(2-Methyl-5-nitrophenyl)guanidine nitrate (1:1) finds applications in the pharmaceutical industry for the synthesis of certain bioactive compounds. It is also used in the polymer industry as a stabilizer and in the development of sensors for detecting specific chemical species. Additionally, it has potential uses in the semiconductor industry for surface modification and passivation of materials.

What precautions should be taken when handling 1-(2-Methyl-5-nitrophenyl)guanidine nitrate (CAS: 152460-08-7)?

When handling 1-(2-Methyl-5-nitrophenyl)guanidine nitrate (1:1), it is crucial to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to avoid inhaling the vapors. Spills should be cleaned up immediately using appropriate absorbents, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.