4-Chloro-3-nitrobenzoic acid

Basic Information

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CAS Number

96-99-1

Molecular Formula

C7H4ClNO4

Molecular Weight

201.56 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

181.0 to 185.0 deg-C

Boiling Point

371.6±27.0 °C at 760 mmHg

Density

1.64

Flash Point

178.5±23.7 °C

Refractive Index

1.6280 (estimate)

Vapor Pressure

0.0±0.9 mmHg at 25°C

SMILES

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C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C7H4ClNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11)

InChIKey

DFXQXFGFOLXAPO-UHFFFAOYSA-N

LogP

2.46960

Complexity

227

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

4-Chloro-3-nitrobenzoic acid
4-Chloro-3-Nitobenzoic Acid
3-Nitro-4-Chloro Benzoic Acid
DB-1
3-Nitro-4-chlorobenzoic acid
4-Chloro-3-nitrobenzoic acid (ACI)
6-Chloro-3-carboxynitrobenzene
NSC 8440
4-chloro-3-nitrobenzoic acid
0MLZ915Q9K
Benzoic acid, 4-chloro-3-nitro-
4-09-00-01226 (Beilstein Handbook Reference)
SCHEMBL19334475
W-100124
MFCD00007079
NSC-8440
4-Chloro-3-nitrobenzoic acid, 98%
CS-0010078
96-99-1
4-chloro-3-nitro-benzoic acid
4-CHLORO-3-NITROBENZOIC ACID
WLN: WNR BG EVQ
EC 202-550-9
4-Chloro-3-nitrobenzoicAcid
CCRIS 3126
BP-21340
STK256889
S12288
Kyselina 4-chloro-3-nitrobenzoova
SR-01000312675
BS-4118

MDL Number

MFCD00007079

Customs Code

2918990090

FAQ

What is 4-Chloro-3-nitrobenzoic acid (CAS: 96-99-1)?

4-Chloro-3-nitrobenzoic acid (CAS: 96-99-1) is an organic compound with the chemical formula C7H5ClNO4. It is a yellow solid with a strong, sharp odor. The compound exhibits acidic properties due to the carboxylic acid group and is known for its high reactivity, particularly in nitro and chloro substitution reactions. It is commonly used in chemical synthesis and research due to its versatile functional groups.

What are the main uses of 4-Chloro-3-nitrobenzoic acid (CAS: 96-99-1)?

4-Chloro-3-nitrobenzoic acid (CAS: 96-99-1) is widely used in pharmaceutical research as a building block for drug development. It also finds applications in the synthesis of dyes, pigments, and agrochemicals. In industrial settings, it is used as an intermediate in the production of various organic compounds. Additionally, it is employed in research for studying chemical reactions and material properties.

Is 4-Chloro-3-nitrobenzoic acid (CAS: 96-99-1) safe?

4-Chloro-3-nitrobenzoic acid (CAS: 96-99-1) is considered hazardous due to its potential to cause skin and eye irritation. It may also be harmful if inhaled or ingested. Safety precautions include wearing appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Handling should be done in a well-ventilated area, and safety data sheets (SDS) should be consulted for detailed guidelines.

How should 4-Chloro-3-nitrobenzoic acid (CAS: 96-99-1) be stored?

4-Chloro-3-nitrobenzoic acid (CAS: 96-99-1) should be stored in a tightly sealed container in a cool, dry, and well-ventilated area. It is sensitive to moisture and light, so storage in a dark place is recommended. The ideal temperature range is between 2-8°C, and it should be kept away from incompatible substances to maintain stability and prevent degradation.