3-Nitrobenzamide

Basic Information

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CAS Number

645-09-0

Molecular Formula

C7H6N2O3

Molecular Weight

166.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

143.0 to 146.0 deg-C

Boiling Point

312.55°C

Density

1.4994 (rough estimate)

Flash Point

145.852°C

Refractive Index

1.5880 (estimate)

SMILES

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

InChI

InChI=1S/C7H6N2O3/c8-7(10)5-2-1-3-6(4-5)9(11)12/h1-4H,(H2,8,10)

InChIKey

KWAYEPXDGHYGRW-UHFFFAOYSA-N

LogP

1.91720

Complexity

199

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H316 Causes mild skin irritation
Skin corrosion/irritation

Stability

Stable. Combustible. Incompatible with strong oxidizing agents.

Synonyms & References

English

AS-19826
NCGC00091263-01
F13605
3-nitrophenylcarboxamide
UNII-KMU7X7KT5T
NS00035708
SMR001370909
DTXCID605732
Oprea1_317236
CS-0149880
AE-562/40173655
NCI60_003478
NSC37327
AC-10271
KMU7X7KT5T
FT-0616234
DTXSID5025732
HMS3039O04
3-Nitrobenzamide
3-Nitrobenzamide, 98%
BDBM50106195
N0321
J-512967
Benzamide, m-nitro-
Benzamide, 3-nitro-
645-09-0
SCHEMBL894417
A867870
EINECS 211-431-0
3-Nitro-benzamide
CHEMBL338567

MDL Number

MFCD00007984

Customs Code

2924299090

FAQ

What regulatory guidelines apply to 3-Nitrobenzamide (CAS: 645-09-0)?

3-Nitrobenzamide (CAS: 645-09-0) should comply with the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations, and FDA/EPA requirements. It is classified as a hazardous chemical due to its nitro group, which may pose health and environmental risks. Companies handling this compound must ensure proper labeling, storage, and disposal to meet regulatory standards.

Are there alternatives to 3-Nitrobenzamide (CAS: 645-09-0) in synthesis?

For synthesizing similar functional groups, alternatives to 3-Nitrobenzamide (CAS: 645-09-0) include 2-Nitrobenzamide and 4-Nitrobenzamide. These compounds can be used as suitable substitutes depending on the specific reaction conditions and desired product. It is important to evaluate the reactivity and solubility of these alternatives to ensure optimal results in the synthesis process.

What is the market or research trend for 3-Nitrobenzamide (CAS: 645-09-0)?

The market for 3-Nitrobenzamide (CAS: 645-09-0) has been stable, with increasing interest in its use as a precursor in the synthesis of other organic compounds. Research trends are focused on exploring its potential in pharmaceuticals and agrochemicals. However, due to its hazardous nature, safety and environmental impact remain key considerations in research and development efforts.

How should waste containing 3-Nitrobenzamide (CAS: 645-09-0) be handled?

Waste containing 3-Nitrobenzamide (CAS: 645-09-0) should be collected and disposed of according to hazardous waste regulations. This includes neutralizing any acidic or basic components before disposal. Incineration is a common method, but professional waste disposal services should be utilized to ensure compliance with environmental protection standards. Proper safety measures, such as personal protective equipment and waste containment, must be followed during handling and disposal to prevent environmental contamination and ensure worker safety.