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Methyl 3-bromo-4-methylbenzoate

Product Name
Methyl 3-bromo-4-methylbenzoate
CAS No.
104901-43-1
Chemical Name
Methyl 3-bromo-4-methylbenzoate
Synonyms
Methyl 3-bromo-4-met;METHYL 4-BROMO-M-TOLUATE;METHYL 3-BROMO-P-TOLUATE;METHYL 3-BROMO-4-METHYLBENZOATE;3-BROMO-4-METHYL METHYL BENZOATE;Methyl3-Bromo-4-methylbenzoate>3-BroMo-p-toluic acid Methyl ester;4-BROMO-M-TOLUIC ACID METHYL ESTER;Methyl 3-bromo-4-methylbenzoate ,98%;4-BROMO-3-METHYLBENZOIC ACID METHYL ESTER
CBNumber
CB8724371
Molecular Formula
C9H9BrO2
Formula Weight
229.07
MOL File
104901-43-1.mol
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Methyl 3-bromo-4-methylbenzoate Property

Melting point:
38-44 °C(lit.)
Boiling point:
130°C/0.1mmHg(lit.)
Density 
1.433±0.06 g/cm3(Predicted)
refractive index 
1.5570 to 1.5610
Flash point:
>230 °F
storage temp. 
Inert atmosphere,Room Temperature
solubility 
Soluble in dimethyl sulfoxide.
form 
clear liquid
color 
Colorless to Light orange to Yellow
InChI
InChI=1S/C9H9BrO2/c1-6-3-4-7(5-8(6)10)9(11)12-2/h3-5H,1-2H3
InChIKey
MASRAGFWFYHMFI-UHFFFAOYSA-N
SMILES
C(OC)(=O)C1=CC=C(C)C(Br)=C1
CAS DataBase Reference
104901-43-1(CAS DataBase Reference)
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Safety

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-36
WGK Germany 
3
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.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P405Store locked up.

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N-Bromosuccinimide Price

TCI Chemical
Product number
M2181
Product name
Methyl 3-Bromo-4-methylbenzoate
Purity
>98.0%(GC)
Packaging
5g
Price
$36
Updated
2025/07/31
TCI Chemical
Product number
M2181
Product name
Methyl 3-Bromo-4-methylbenzoate
Purity
>98.0%(GC)
Packaging
25g
Price
$107
Updated
2025/07/31
TRC
Product number
M295525
Product name
Methyl 3-Bromo-4-methylbenzoate
Packaging
250mg
Price
$55
Updated
2021/12/16
TRC
Product number
M295525
Product name
Methyl 3-Bromo-4-methylbenzoate
Packaging
1g
Price
$75
Updated
2021/12/16
AK Scientific
Product number
J92938
Product name
Methyl 3-Bromo-4-methylbenzoate
Packaging
5g
Price
$12
Updated
2021/12/16
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Methyl 3-bromo-4-methylbenzoate Chemical Properties,Usage,Production

Chemical Properties

Orange-red solid

Uses

It is a pharmaceutical intermediate.

Synthesis Reference(s)

The Journal of Organic Chemistry, 53, p. 5545, 1988 DOI: 10.1021/jo00258a030

Synthesis

67-56-1

7697-26-9

104901-43-1

The general procedure for the synthesis of methyl 3-bromo-4-methylbenzoate from methanol and 3-bromo-4-methylbenzoic acid was as follows: 3-bromo-4-methylbenzoic acid (2.0 g, 9.30 mmol) was suspended in methanol (20 ml), and sulfuric acid (0.04 ml) was added as a catalyst. The reaction mixture was stirred at 60°C for 42 hours. After completion of the reaction, the reaction mixture was concentrated and the residue was dissolved in ethyl acetate. The organic phase was washed with saturated aqueous sodium bicarbonate, dried over anhydrous magnesium sulfate, filtered and concentrated to afford the title compound methyl 3-bromo-4-methylbenzoate as an orange oil (2.25 g, quantitative yield), which could be used for subsequent experiments without further purification.

References

[1] Patent: US2013/237537, 2013, A1. Location in patent: Paragraph 0330-0331
[2] Patent: WO2013/119946, 2013, A1. Location in patent: Paragraph 0198; 0345
[3] Patent: WO2011/107608, 2011, A1. Location in patent: Page/Page column 69
[4] Bioorganic and Medicinal Chemistry Letters, 2013, vol. 23, # 23, p. 6442 - 6446
[5] Patent: WO2006/4903, 2006, A2. Location in patent: Page/Page column 125

Methyl 3-bromo-4-methylbenzoate Preparation Products And Raw materials

Raw materials

3-Bromo-4-methylbenzoic acid Ethyl acetate Sulfuric acid

Preparation Products

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View Lastest Price from Methyl 3-bromo-4-methylbenzoate manufacturers

Hebei Chuanghai Biotechnology Co., Ltd
Product
Methyl 3-bromo-4-methylbenzoate 104901-43-1
Price
US $0.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
500000kg
Release date
2024-10-30
Career Henan Chemical Co
Product
Methyl 3-bromo-4-methylbenzoate 104901-43-1
Price
US $1.00/KG
Min. Order
1KG
Purity
98%
Supply Ability
1kg,5kg,100kg
Release date
2019-07-04

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