Methyl 3,5-dinitrobenzoate

Basic Information

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CAS Number

2702-58-1

Molecular Formula

C8H6N2O6

Molecular Weight

226.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

107-109 °C

Boiling Point

367.74°C (rough estimate)

Flash Point

174.1 °C

Refractive Index

1.6000 (estimate)

SMILES

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COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H6N2O6/c1-16-8(11)5-2-6(9(12)13)4-7(3-5)10(14)15/h2-4H,1H3

InChIKey

POGCCFLNFPIIGW-UHFFFAOYSA-N

LogP

2.33600

Complexity

285

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

SCHEMBL418416
Methyl3,5-dinitrobenzoate
CHEMBL2252127
AC-25711
EN300-264678
AKOS001027311
J-019713
DTXSID60871874
Methyl 3,5-dinitrobenzoate, 99%
Z56823064
VU0549299-1
NSC-7317
U300
Methyl 3,5-dinitrobenzoate
NSC 7317
NSC7317
F9995-0127
FT-0628516
2702-58-1
GS-3276
NS00049429
AMY31783
InChI=1/C8H6N2O6/c1-16-8(11)5-2-6(9(12)13)4-7(3-5)10(14)15/h2-4H,1H
Methyl 3,5-dinitrobenzoate, Standard for quantitative NMR, TraceCERT(R)
EINECS 220-289-9
SY074610
W-107136
MFCD00017016
AC-907/34105063
3,5-dinitro-benzoic acid methyl ester
UNII-UB421R8G90

MDL Number

MFCD00017016

Customs Code

2916399090

FAQ

What is Methyl 3,5-dinitrobenzoate (CAS: 2702-58-1)?

Methyl 3,5-dinitrobenzoate (CAS: 2702-58-1) is an organic compound with the molecular formula C8H6N2O6. It is a white or light yellow crystalline solid with a distinctive odor. This compound is used in the synthesis of other chemical intermediates and as a reagent in organic chemistry.

What are the main uses of Methyl 3,5-dinitrobenzoate (CAS: 2702-58-1)?

Methyl 3,5-dinitrobenzoate (CAS: 2702-58-1) is primarily used as a precursor in the synthesis of various dyes, pharmaceuticals, and other organic compounds. It is also used as a reagent in analytical chemistry and as a component in the production of certain pesticides.

Is Methyl 3,5-dinitrobenzoate (CAS: 2702-58-1) safe?

Methyl 3,5-dinitrobenzoate (CAS: 2702-58-1) is generally considered safe when handled under proper conditions. However, it is important to follow safety guidelines, including wearing appropriate personal protective equipment (PPE) such as gloves and goggles. Avoid contact with eyes, skin, and inhalation of dust. Ensure proper ventilation when working with this compound.

How should Methyl 3,5-dinitrobenzoate (CAS: 2702-58-1) be stored?

Methyl 3,5-dinitrobenzoate (CAS: 2702-58-1) should be stored in a tightly closed container in a cool, well-ventilated area. It should be kept away from sources of heat, sparks, and flame. Store at room temperature and avoid exposure to light. Maintain a relative humidity below 50% to prevent moisture absorption. Do not store near incompatible materials such as acids or strong bases.