ChemicalBook > CAS DataBase List > Methyl 3-bromo-5-nitrobenzoate

Methyl 3-bromo-5-nitrobenzoate

Product Name
Methyl 3-bromo-5-nitrobenzoate
CAS No.
6307-87-5
Chemical Name
Methyl 3-bromo-5-nitrobenzoate
Synonyms
DK89898D;Methyl 3-bromo-5-nitrobenzoate;3-Bromo-5-nitro-benzoic acid met;Methyl3-bromo-5-nitrobenzoate98%;Methyl 3-bromo-5-nitrobenzoate 98%;3-Bromo-5-nitro-benzoic acid methyl ester;Benzoic acid, 3-bromo-5-nitro-, methyl ester
CBNumber
CB4957694
Molecular Formula
C8H6BrNO4
Formula Weight
260.04
MOL File
6307-87-5.mol
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Methyl 3-bromo-5-nitrobenzoate Property

Melting point:
70 °C(Solv: ethanol (64-17-5))
Boiling point:
326.0±22.0 °C(Predicted)
Density 
1.673±0.06 g/cm3(Predicted)
storage temp. 
Sealed in dry,Room Temperature
form 
solid
color 
Off-white to light brown
InChI
InChI=1S/C8H6BrNO4/c1-14-8(11)5-2-6(9)4-7(3-5)10(12)13/h2-4H,1H3
InChIKey
DDJCZBFPZLYREP-UHFFFAOYSA-N
SMILES
C(OC)(=O)C1=CC([N+]([O-])=O)=CC(Br)=C1
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Safety

Hazard Codes 
Xi
Hazard Note 
Irritant
HS Code 
2916399090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

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N-Bromosuccinimide Price

TRC
Product number
M296003
Product name
Methyl3-bromo-5-nitrobenzoate
Packaging
1g
Price
$75
Updated
2021/12/16
SynQuest Laboratories
Product number
4654-9-Z1
Product name
Methyl 3-bromo-5-nitrobenzoate
Purity
98%
Packaging
1g
Price
$16
Updated
2021/12/16
SynQuest Laboratories
Product number
4654-9-Z1
Product name
Methyl 3-bromo-5-nitrobenzoate
Purity
98%
Packaging
5G
Price
$42
Updated
2021/12/16
ChemScene
Product number
CS-W003593
Product name
3-Bromo-5-nitro-benzoicacidmethylester
Purity
98.53%
Packaging
10g
Price
$52
Updated
2021/12/16
ChemScene
Product number
CS-W003593
Product name
3-Bromo-5-nitro-benzoicacidmethylester
Purity
98.53%
Packaging
25g
Price
$105
Updated
2021/12/16
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Methyl 3-bromo-5-nitrobenzoate Chemical Properties,Usage,Production

Uses

Methyl 3-bromo-5-nitrobenzoate is a pharmaceutical intermediate. Methyl 3-bromo-5-nitrobenzoate can be used to prepare 3-amidobenzoic acid derivatives such as 3-(4-trifluoromethylbenzoyl)amino-5-(2',6'-(2H)piperidinylphenyl)benzoic acid, which have P2Y receptor antagonist effects.

Synthesis

The preparation method is achieved through a two-step reaction: first, at 0°C, 3-nitrobenzoic acid is dissolved in concentrated sulfuric acid, N-bromosuccinimide is added, the reaction is carried out at 65°C for 2 hours, and 3-nitro-5-bromobenzoic acid is obtained after stirring with ice water, suction filtration, and drying, with a yield of 95%. Next, the product is dissolved in methanol, SOCl₂ is added dropwise at 0°C, the reaction is carried out at room temperature for 2 hours, and Methyl 3-bromo-5-nitrobenzoate is finally obtained after treatment with a sodium bicarbonate solution, extraction with ethyl acetate, drying, and column chromatography purification, with a yield of 86.46%.

References

[1] Chemistry - A European Journal, 2006, vol. 12, # 18, p. 4764 - 4774
[2] Journal of the American Chemical Society, 2013, vol. 135, # 46, p. 17408 - 17416
[3] Patent: WO2014/19685, 2014, A1. Location in patent: Page/Page column 13; 39
[4] Journal of Molecular Structure, 2013, vol. 1036, p. 505 - 509
[5] Collection of Czechoslovak Chemical Communications, 1973, vol. 38, p. 3496 - 3505

Methyl 3-bromo-5-nitrobenzoate Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from Methyl 3-bromo-5-nitrobenzoate manufacturers

Henan Fengda Chemical Co., Ltd
Product
Methyl 3-bromo-5-nitrobenzoate 6307-87-5
Price
US $3.00-0.20/KG
Min. Order
1KG
Purity
98%
Supply Ability
g-kg-tons, free sample is available
Release date
2024-03-26
Career Henan Chemical Co
Product
Methyl 3-bromo-5-nitrobenzoate 6307-87-5
Price
US $200.00/KG
Min. Order
1KG
Purity
98%
Supply Ability
100KG
Release date
2018-08-15

6307-87-5, Methyl 3-bromo-5-nitrobenzoateRelated Search:

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  • Methyl 3-bromo-5-nitrobenzoate
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  • Methyl3-bromo-5-nitrobenzoate98%
  • 3-Bromo-5-nitro-benzoic acid methyl ester
  • Benzoic acid, 3-bromo-5-nitro-, methyl ester
  • DK89898D
  • 3-Bromo-5-nitro-benzoic acid met
  • 6307-87-5
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