Methyl 2-bromo-5-nitrobenzoate

Basic Information

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CAS Number

6942-36-5

Molecular Formula

C8H6BrNO4

Molecular Weight

260.04 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

79.0 to 83.0 deg-C

Boiling Point

326.7℃ at 760 mmHg

Density

1.673

Flash Point

151.4 °C

Refractive Index

1.587

SMILES

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

InChI

InChI=1S/C8H6BrNO4/c1-14-8(11)6-4-5(10(12)13)2-3-7(6)9/h2-4H,1H3

InChIKey

VSEYYEKRZNRECT-UHFFFAOYSA-N

LogP

2.66710

Complexity

240

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

CS-W012516
VSEYYEKRZNRECT-UHFFFAOYSA-
AKOS009158153
methyl-2-bromo-5-nitrobenzoate
SY060075
FT-0628438
NSC57462
SCHEMBL527397
NSC-57462
NCIOpen2_002533
2-Bromo-5-nitrobenzoic Acid Methyl Ester
methyl 2-bromo-5-nitro benzoate
methyl 5-nitro-2-bromobenzoate
Methyl 2-bromo-5-nitrobenzoate
methyl 2-bromo-5-nitro-benzoate
B1916
Methyl 2-bromo-5-nitrobenzoate, 99%
A836491
O11866
EN300-1695764
AM20060712
BENZOIC ACID, 2-BROMO-5-NITRO-, METHYL ESTER
2-bromo-5-nitro-benzoic acid methyl ester
InChI=1/C8H6BrNO4/c1-14-8(11)6-4-5(10(12)13)2-3-7(6)9/h2-4H,1H3
DTXSID70288757
Methyl2-bromo-5-nitrobenzoate
GS-3166
6942-36-5
MFCD00010867
3,4'-Dichloropropiophenone
5-Bromo Methyl Nicotinate

MDL Number

MFCD00010867

Customs Code

2916399090

FAQ

What are the physical and chemical properties of Methyl 2-bromo-5-nitrobenzoate (CAS: 6942-36-5)?

Methyl 2-bromo-5-nitrobenzoate (CAS: 6942-36-5) is a crystalline solid with a molecular weight of approximately 276.03 g/mol. It is slightly soluble in water and more soluble in organic solvents like ethanol and acetone. This compound is known for its reactivity, particularly towards nucleophiles and reducing agents, making it useful in organic synthesis reactions.

How is Methyl 2-bromo-5-nitrobenzoate (CAS: 6942-36-5) typically synthesized?

Methyl 2-bromo-5-nitrobenzoate is commonly synthesized via nitration of methyl 2-bromobenzoate followed by bromination of the nitro group. This process involves reagents such as nitric acid and sulfuric acid for nitration, and bromine in the presence of carbon tetrachloride for bromination. The reaction yields a pure product with good selectivity and high yield.

What industries use Methyl 2-bromo-5-nitrobenzoate (CAS: 6942-36-5)?

Methyl 2-bromo-5-nitrobenzoate (CAS: 6942-36-5) is primarily used in the pharmaceutical industry for the synthesis of various organic compounds. It also finds applications in the production of dyes, pigments, and materials for sensors and semiconductors, due to its reactivity and functional groups.

What precautions should be taken when handling Methyl 2-bromo-5-nitrobenzoate (CAS: 6942-36-5)?

When handling Methyl 2-bromo-5-nitrobenzoate (CAS: 6942-36-5), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be used in a well-ventilated area or a fume hood. In case of a spill, immediately clean up using appropriate materials as outlined in the safety data sheet (SDS) and ensure proper disposal. Always consult the SDS for detailed safety information.