Methyl 4-nitrobenzoate

Basic Information

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CAS Number

619-50-1

Molecular Formula

C8H7NO4

Molecular Weight

181.15 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

95.0 to 97.0 deg-C

Boiling Point

314.24°C (rough estimate)

Density

1.4283 (rough estimate)

Flash Point

94-96°C

Solubility

Solubility in methanol is almost transparent.

Refractive Index

1.5468 (estimate)

SMILES

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

InChI

InChI=1S/C8H7NO4/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5H,1H3

InChIKey

YOJAHJGBFDPSDI-UHFFFAOYSA-N

LogP

1.90460

Complexity

203

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

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

Synonyms & References

English

METHYL P-NITROBENZOATE
CS-W016003
Benzoic acid, p-nitro-, methyl ester
4-nitro-benzoic acid methyl ester
AB-131/40897075
Benzoic acid, 4-nitro-, methyl ester
Methyl-p-nitrobenzoate
Methyl-4-nitrobenzoate
Methyl4-nitrobenzoate
Methyl para-nitrobenzoate
CHEMBL3560114
NSC-4137
F21274
DTXSID3022085
InChI=1/C8H7NO4/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5H,1H
Methyl ester of 4-Nitrobenzoic acid
W-105071
Methyl p-nitro benzoate
A833502
NCGC00356938-01
Methyl 4-nitrobenzoate, >=99.0% (GC)
SCHEMBL306161
CAS-619-50-1
p-Nitrobenzoic acid methyl ester
NSC4137
N0159
FT-0628654
DTXCID602085
AKOS000496631
Methyl 4-nitrobenzoate
Tox21_303702

MDL Number

MFCD00007350

Customs Code

29163900

FAQ

What is Methyl 4-nitrobenzoate (CAS: 619-50-1)?

Methyl 4-nitrobenzoate (CAS: 619-50-1) is an organic compound with the chemical formula C8H7NO2. It is a yellow or orange crystalline solid with a pleasant odor. It is soluble in water and ethanol. This compound is widely used in the pharmaceutical, dye, and chemical industries as a precursor for other chemical syntheses.

What are the main uses of Methyl 4-nitrobenzoate (CAS: 619-50-1)?

Methyl 4-nitrobenzoate (CAS: 619-50-1) is primarily used as a raw material in the synthesis of dyes, pharmaceuticals, and other organic compounds. It is also used as an intermediate in the production of surfactants and in research applications for organic synthesis.

Is Methyl 4-nitrobenzoate (CAS: 619-50-1) safe?

Methyl 4-nitrobenzoate (CAS: 619-50-1) is generally considered safe when used under proper safety precautions. However, it is flammable and may cause skin irritation. It is important to use personal protective equipment such as gloves and goggles, and to store it in a cool, dry place away from heat sources and direct sunlight. Inhalation of vapors should be avoided.

How should Methyl 4-nitrobenzoate (CAS: 619-50-1) be stored?

Methyl 4-nitrobenzoate (CAS: 619-50-1) should be stored in a tightly sealed container in a cool, dry place away from direct sunlight and heat sources. It should be kept at a temperature below 25°C to prevent decomposition. The storage area should be well-ventilated to avoid the accumulation of flammable vapors.