3-Methyl-4-nitrobenzoic acid | CAS No. 3113-71-1

Q: What is 3-Methyl-4-nitrobenzoic acid (CAS: 3113-71-1)?

3-Methyl-4-nitrobenzoic acid (CAS: 3113-71-1) is an aromatic carboxylic acid with a methyl group and a nitro group attached to the benzene ring. Its chemical formula is C7H5NO4, and it is known for its moderate solubility in water and polar organic solvents. The compound exhibits acidic properties due to the carboxylic acid functional group and is commonly used in organic synthesis and chemical research.

Q: What are the main uses of 3-Methyl-4-nitrobenzoic acid (CAS: 3113-71-1)?

3-Methyl-4-nitrobenzoic acid (CAS: 3113-71-1) is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in the synthesis of dyes, pigments, and other organic compounds. In industrial settings, it may be used as an intermediate in the production of various chemicals, and in research, it serves as a reagent for functional group transformations and structural studies.

Q: Is 3-Methyl-4-nitrobenzoic acid (CAS: 3113-71-1) safe?

3-Methyl-4-nitrobenzoic acid (CAS: 3113-71-1) should be handled with care as it may cause irritation to the skin, eyes, and respiratory system. It is recommended to use appropriate personal protective equipment (PPE), such as gloves and goggles, when working with this compound. Safety standards typically include proper ventilation and storage in a secure, labeled area away from incompatible materials.

Q: How should 3-Methyl-4-nitrobenzoic acid (CAS: 3113-71-1) be stored?

3-Methyl-4-nitrobenzoic acid (CAS: 3113-71-1) should be stored in a cool, dry, and dark place, ideally at temperatures below 25°C. It is best kept in a sealed container to prevent moisture absorption and contamination. Avoid exposure to direct sunlight and ensure it is stored away from strong bases and reducing agents to maintain stability and safety.

3-Methyl-4-nitrobenzoic acid

Basic Information

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CAS Number

3113-71-1

Molecular Formula

C8H7NO4

Molecular Weight

181.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

Powder

Melting Point

216.0 to 219.0 deg-C

Boiling Point

356°C at 760 mmHg

Water Solubility

<0.1 g/100 mL at 22 ºC

Flash Point

161.2oC

Refractive Index

1.5468 (estimate)

SMILES

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

InChI

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

InChIKey

XDTTUTIFWDAMIX-UHFFFAOYSA-N

LogP

2.12460

Complexity

223

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

Benzoic acid, 3-methyl-4-nitro-
BCP30871
3-Methyl-4-nitro-benzoic acid;3-Methyl-4-nitrobenzoic acid
4-Nitro-m-toluic acid
AKOS000119341
3113-71-1
3-METHYL-4-NITRO-BENZOIC ACID
Q27277230
NCGC00258389-01
3-Methyl-4-nitrobenzoic acid, 99%
m-Toluic acid, 4-nitro-
MLS002152884
NSC-28455
3-Methyl-4-nitrobenzoic acid
NS00029025
ELP258JXH0
3 -methyl-4-nitrobenzoic acid
HMS3039I15
UNII-ELP258JXH0
4-Nitro-3-methyl-benzoic acid
NCGC00091302-02
MFCD00007168
AE-562/43460711
AC-3104
NSC 28455
F52603
M0565
A5645
EINECS 221-479-4
M-METHYL-P-NITROBENZOIC ACID
SMR001224497

MDL Number

MFCD00007168

Customs Code

2916399090

FAQ

What is 3-Methyl-4-nitrobenzoic acid (CAS: 3113-71-1)?

3-Methyl-4-nitrobenzoic acid (CAS: 3113-71-1) is an aromatic carboxylic acid with a methyl group and a nitro group attached to the benzene ring. Its chemical formula is C7H5NO4, and it is known for its moderate solubility in water and polar organic solvents. The compound exhibits acidic properties due to the carboxylic acid functional group and is commonly used in organic synthesis and chemical research.

What are the main uses of 3-Methyl-4-nitrobenzoic acid (CAS: 3113-71-1)?

3-Methyl-4-nitrobenzoic acid (CAS: 3113-71-1) is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in the synthesis of dyes, pigments, and other organic compounds. In industrial settings, it may be used as an intermediate in the production of various chemicals, and in research, it serves as a reagent for functional group transformations and structural studies.

Is 3-Methyl-4-nitrobenzoic acid (CAS: 3113-71-1) safe?

3-Methyl-4-nitrobenzoic acid (CAS: 3113-71-1) should be handled with care as it may cause irritation to the skin, eyes, and respiratory system. It is recommended to use appropriate personal protective equipment (PPE), such as gloves and goggles, when working with this compound. Safety standards typically include proper ventilation and storage in a secure, labeled area away from incompatible materials.

How should 3-Methyl-4-nitrobenzoic acid (CAS: 3113-71-1) be stored?

3-Methyl-4-nitrobenzoic acid (CAS: 3113-71-1) should be stored in a cool, dry, and dark place, ideally at temperatures below 25°C. It is best kept in a sealed container to prevent moisture absorption and contamination. Avoid exposure to direct sunlight and ensure it is stored away from strong bases and reducing agents to maintain stability and safety.