4-Methyl-3-nitrobenzoic acid | CAS No. 96-98-0

Q: What is 4-Methyl-3-nitrobenzoic acid (CAS: 96-98-0)?

4-Methyl-3-nitrobenzoic acid (CAS: 96-98-0) is an organic compound with the chemical formula C8H7NO4. It features a benzene ring substituted with a methyl group, a nitro group, and a carboxylic acid group. This compound is known for its acidic properties and is commonly used in chemical synthesis. Its molecular structure makes it relevant in pharmaceutical and industrial applications.

Q: What are the main uses of 4-Methyl-3-nitrobenzoic acid (CAS: 96-98-0)?

4-Methyl-3-nitrobenzoic acid (CAS: 96-98-0) is primarily used in pharmaceutical research as a precursor for drug development. It also serves in the synthesis of dyes, pesticides, and organic chemicals. Additionally, it is employed in industrial processes for creating intermediates and in academic studies for functional group modifications. Its versatility stems from its reactivity and structural features.

Q: Is 4-Methyl-3-nitrobenzoic acid (CAS: 96-98-0) safe?

4-Methyl-3-nitrobenzoic acid (CAS: 96-98-0) requires careful handling due to its potential toxicity. It may cause skin and eye irritation, and inhalation or ingestion can lead to adverse effects. Safety standards emphasize the use of protective gear, such as gloves and goggles, and proper ventilation. Always follow OSHA guidelines and consult safety data sheets (SDS) for handling precautions.

Q: How should 4-Methyl-3-nitrobenzoic acid (CAS: 96-98-0) be stored?

4-Methyl-3-nitrobenzoic acid (CAS: 96-98-0) should be stored in a cool, dry place, away from light and moisture. Keep it in a sealed, airtight container, preferably made of glass or polyethylene, to maintain stability. Storage conditions should avoid temperatures above 25°C and ensure proper ventilation to prevent degradation or hazardous reactions.

4-Methyl-3-nitrobenzoic acid

Basic Information

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CAS Number

96-98-0

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

Melting Point

188.0 to 192.0 deg-C

Boiling Point

314.24°C (rough estimate)

Density

1.4283 (rough estimate)

Water Solubility

<0.1 g/100 mL at 22 ºC

Flash Point

351.4 °C at 760 mmHg

Solubility

0.257g/l

Refractive Index

1.5468 (estimate)

SMILES

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

InChI

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

InChIKey

BBEWSMNRCUXQRF-UHFFFAOYSA-N

LogP

2.12460

Complexity

223

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

4-Methyl-3-nitrobenzoic acid
3-Nitro-p-toluic acid
3-nitro-4-methyl benzoic acid
4-methyl-3-nitro-benzoicaci
RARECHEM AL BO 1292
2-NITROTOLUENE-4-CARBOXYLIC ACID
4-Methyl-3-Nitrobenzoic Acid 3-Nitro-4-Methylbenzoic Acid
4-Methyl-3-nitrobenzoic
3-Nitro-p-toluylsure
4-Methy-3-nitrobenzoic acid
3-nitro-4-methyl-benzaoate acid
3-Nitro-para-toluic acid
3-Nitro-p-toluylsaeure
4-Methyl-3-nitro-benzoesaeure
Benzoic acid,4-methyl-3-nitro
EINECS 202-549-3
m-Nitro-p-toluic acid
p-Toluic acid,3-nitro
3-Nitro-4-methylbenzoic acid
Benzoic acid, 4-methyl-3-nitro-
4-METHYL-3-NITRO-BENZOIC ACID
p-Toluic acid, 3-nitro-
BBEWSMNRCUXQRF-UHFFFAOYSA-N
NSC50659
PubChem8353
4-METHYL-3-NITRO BENZOIC ACID
DSSTox_CID_5642
DSSTox_RID_77867
Oprea1_315455
DSSTox_GSID_25642
MLS002

MDL Number

MFCD00007174

Customs Code

2916399090

FAQ

What is 4-Methyl-3-nitrobenzoic acid (CAS: 96-98-0)?

4-Methyl-3-nitrobenzoic acid (CAS: 96-98-0) is an organic compound with the chemical formula C8H7NO4. It features a benzene ring substituted with a methyl group, a nitro group, and a carboxylic acid group. This compound is known for its acidic properties and is commonly used in chemical synthesis. Its molecular structure makes it relevant in pharmaceutical and industrial applications.

What are the main uses of 4-Methyl-3-nitrobenzoic acid (CAS: 96-98-0)?

4-Methyl-3-nitrobenzoic acid (CAS: 96-98-0) is primarily used in pharmaceutical research as a precursor for drug development. It also serves in the synthesis of dyes, pesticides, and organic chemicals. Additionally, it is employed in industrial processes for creating intermediates and in academic studies for functional group modifications. Its versatility stems from its reactivity and structural features.

Is 4-Methyl-3-nitrobenzoic acid (CAS: 96-98-0) safe?

4-Methyl-3-nitrobenzoic acid (CAS: 96-98-0) requires careful handling due to its potential toxicity. It may cause skin and eye irritation, and inhalation or ingestion can lead to adverse effects. Safety standards emphasize the use of protective gear, such as gloves and goggles, and proper ventilation. Always follow OSHA guidelines and consult safety data sheets (SDS) for handling precautions.

How should 4-Methyl-3-nitrobenzoic acid (CAS: 96-98-0) be stored?

4-Methyl-3-nitrobenzoic acid (CAS: 96-98-0) should be stored in a cool, dry place, away from light and moisture. Keep it in a sealed, airtight container, preferably made of glass or polyethylene, to maintain stability. Storage conditions should avoid temperatures above 25°C and ensure proper ventilation to prevent degradation or hazardous reactions.