Methyl 5-chloro-2-nitrobenzoate

Basic Information

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CAS Number

51282-49-6

Molecular Formula

C8H6ClNO4

Molecular Weight

215.59 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

48.0 to 52.0 deg-C

Boiling Point

306.2°C at 760 mmHg

Flash Point

>230 °F

Refractive Index

1.6000 (estimate)

SMILES

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

InChI

InChI=1S/C8H6ClNO4/c1-14-8(11)6-4-5(9)2-3-7(6)10(12)13/h2-4H,1H3

InChIKey

JGBJHRKCUKTQOE-UHFFFAOYSA-N

LogP

2.55800

Complexity

240

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

SCHEMBL40265
UNII-1T5D4K1V51
DTXSID5044948
MFCD00272139
JGBJHRKCUKTQOE-UHFFFAOYSA-N
M1996
CS-W014888
CHEMBL3187945
methyl 5-chloro-2-nitro-benzoate
Methyl 5-chloro-2-nitrobenzoate, 97%
4-CHLORO-2-METHOXYCARBONYLNITROBENZENE
J47.496G
SY009653
DTXCID3024948
NCGC00256110-01
5-chloro-2-nitro-benzoic acid methyl ester
FT-0628676
51282-49-6
Z18530725
CAS-51282-49-6
Q27252856
AM20050521
AKOS001428094
EINECS 257-107-2
METHYL 5-CHLORO-2-NITROBENZENECARBOXYLATE
1T5D4K1V51
2-Nitro-5-chlorobenzoic acid methyl ester
Tox21_301266
NS00032246
5-Chloro-2-nitrobenzoic Acid Methyl Ester
W-105910

MDL Number

MFCD00272139

Customs Code

2916399090

FAQ

What are the physical and chemical properties of Methyl 5-chloro-2-nitrobenzoate (CAS: 51282-49-6)?

Methyl 5-chloro-2-nitrobenzoate (CAS: 51282-49-6) is a solid with a crystalline form. Its molecular weight is approximately 227.58 g/mol. It has a low solubility in water but is soluble in common organic solvents like dichloromethane and acetonitrile. The compound is moderately reactive, particularly towards nucleophiles. It is stable under normal conditions but should be stored away from moisture and heat to prevent degradation.

How is Methyl 5-chloro-2-nitrobenzoate (CAS: 51282-49-6) typically synthesized?

Methyl 5-chloro-2-nitrobenzoate is typically synthesized via the nitration of methyl 2-chlorobenzoate using concentrated nitric acid and sulfuric acid as a catalyst. The reaction is carried out under reflux conditions to ensure complete nitration. The product is then purified by recrystallization from an appropriate solvent. This method provides a yield of around 80-85%.

What industries use Methyl 5-chloro-2-nitrobenzoate (CAS: 51282-49-6)?

Methyl 5-chloro-2-nitrobenzoate (CAS: 51282-49-6) is used in the pharmaceutical industry for the synthesis of certain organic compounds and intermediates. It is also utilized in the polymer industry for the modification of polymer properties and in the development of new materials. Additionally, it finds applications in the manufacturing of sensors and as a reagent in analytical chemistry.

What precautions should be taken when handling Methyl 5-chloro-2-nitrobenzoate (CAS: 51282-49-6)?

When handling Methyl 5-chloro-2-nitrobenzoate (CAS: 51282-49-6), proper personal protective equipment (PPE) should be worn, including gloves, safety goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood to minimize exposure to vapors. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the safety data sheet (SDS) for detailed handling and storage instructions.