3,5-Dinitrobenzoyl chloride

Basic Information

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CAS Number

99-33-2

Molecular Formula

C7H3ClN2O5

Molecular Weight

230.56 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

68-69 °C

Boiling Point

196 °C/11 mmHg

Density

1.8836 (rough estimate)

Water Solubility

Slightly soluble in water.

Flash Point

196°C/12mm

Refractive Index

1.6290 (estimate)

SMILES

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

InChI

InChI=1S/C7H3ClN2O5/c8-7(11)4-1-5(9(12)13)3-6(2-4)10(14)15/h1-3H

InChIKey

NNOHXABAQAGKRZ-UHFFFAOYSA-N

LogP

2.92840

Complexity

275

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Stability

Stable. Incompatible with strong oxidizing agents, water, moisture, nitrates, combustible material. Refrigerate.

Sensitiveness

Moisture Sensitive

Synonyms & References

English

3,5-Dinitrobenzoyl chloride
3,5-Dinitrobenzoic acid chloride
3,5-Dinitrobenzoic chloride
DNBC
3,5-Dinitrobenzoyl Chloride [for HPLC Labeling]
3,5-DINITROBENZOYL CHLORIDE FOR SYNTHESIS
BENZOYL CHLORIDE,3,5-DINITRO
BENZOYL CHLORIDE,3,5-DINITRO-
EINECS 202-750-6
NSC 2697
3,5-Dinitrobenzoylchloride
3,5-Dinitrobenzoic Acid Chloride; NSC 2697;
CHEMBL2005426
NSC2697
NCI60_002195
Benzoyl chloride,5-dinitro-
D0825
F11284
AC-10854
3,5-DINITROBENZOYL CHLORIDE [MI]
A5511
3,5-Dinitrobenzoyl chloride, >=98%
SCHEMBL54880
BRN 0990249
InChI=1/C7H3ClN2O5/c8-7(11)4-1-5(9(12)13)3-6(2-4)10(14)15/h1-3
UNII-5JFA2DVM4D
AB-131/40170939
AKOS005720907
STL146563
DTXSID2059194
DINITROBENZOYL CHLORIDE, 3,5-

MDL Number

MFCD00007248

Customs Code

29400090

FAQ

What are the physical and chemical properties of 3,5-Dinitrobenzoyl chloride (CAS: 99-33-2)?

3,5-Dinitrobenzoyl chloride is a crystalline compound with a molecular weight of approximately 244.06 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol and acetone. Chemically, it is highly reactive, particularly towards nucleophiles and basic compounds. It is an electrophilic aromatic derivative and can undergo substitution and addition reactions.

How is 3,5-Dinitrobenzoyl chloride (CAS: 99-33-2) typically synthesized?

3,5-Dinitrobenzoyl chloride is typically synthesized by the reaction of 3,5-dinitrobenzoic acid with thionyl chloride. The process involves heating the mixture to remove water and form the chloride derivative. This synthesis is selective and yields a high percentage of the desired product under mild conditions.

What industries use 3,5-Dinitrobenzoyl chloride (CAS: 99-33-2)?

3,5-Dinitrobenzoyl chloride is used in various industries, including pharmaceuticals, where it serves as an intermediate for synthesizing drugs. It is also utilized in the production of sensors, semiconductors, and polymers due to its reactivity and functional groups.

What precautions should be taken when handling 3,5-Dinitrobenzoyl chloride (CAS: 99-33-2)?

When handling 3,5-Dinitrobenzoyl chloride, appropriate personal protective equipment (PPE) should be worn, including gloves, safety goggles, and laboratory coats. Work should be conducted in a well-ventilated area or fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbent materials, and the area should be thoroughly rinsed with water. Refer to the Safety Data Sheet (SDS) for detailed emergency procedures and storage recommendations.