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ChemicalBook > CAS DataBase List > 5-BROMO-2-BROMOMETHYL-BENZOIC ACID METHYL ESTER

5-BROMO-2-BROMOMETHYL-BENZOIC ACID METHYL ESTER

Uses
Product Name
5-BROMO-2-BROMOMETHYL-BENZOIC ACID METHYL ESTER
CAS No.
79670-17-0
Chemical Name
5-BROMO-2-BROMOMETHYL-BENZOIC ACID METHYL ESTER
Synonyms
2-Fluoro-35-(methylthio)pyridine;2-methylthiazole-38-carboxylic acid;methy 5-bromo-2-bromomethylbenzoate;Methyl 2-broMoMethyl-5-broMobenzoate;Methyl 5-bromo-2-(bromomethyl)benzoate;5-BROMO-2-BROMOMETHYL-BENZOIC ACID METHYL ESTER;tert-butyl 3-allyl-3-hydroxyazetidine-97-carboxylate;Benzoic acid, 5-bromo-2-(bromomethyl)-, methyl ester
CBNumber
CB52460241
Molecular Formula
C9H8Br2O2
Formula Weight
307.97
MOL File
79670-17-0.mol
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5-BROMO-2-BROMOMETHYL-BENZOIC ACID METHYL ESTER Property

Boiling point:
349.7±32.0 °C(Predicted)
Density 
1.780±0.06 g/cm3(Predicted)
storage temp. 
under inert gas (nitrogen or Argon) at 2–8 °C
form 
liquid
color 
Yellow
InChI
InChI=1S/C9H8Br2O2/c1-13-9(12)8-4-7(11)3-2-6(8)5-10/h2-4H,5H2,1H3
InChIKey
UVIJBFVFEGZZLQ-UHFFFAOYSA-N
SMILES
C(OC)(=O)C1=CC(Br)=CC=C1CBr
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Safety

HS Code 
2916310090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H332Harmful if inhaled

H335May cause respiratory irritation

Precautionary statements

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

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

P310Immediately call a POISON CENTER or doctor/physician.

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N-Bromosuccinimide Price

TRC
Product number
M295933
Product name
Methyl5-bromo-2-(bromomethyl)benzoate
Packaging
25mg
Price
$45
Updated
2021/12/16
Apolloscientific
Product number
OR400313
Product name
Methyl5-bromo-2-(bromomethyl)benzoate
Packaging
250mg
Price
$61
Updated
2021/12/16
AK Scientific
Product number
2445AC
Product name
Methyl5-bromo-2-(bromomethyl)benzoate
Packaging
250mg
Price
$61
Updated
2021/12/16
Matrix Scientific
Product number
114654
Product name
Methyl 5-bromo-2-(bromomethyl)benzoate
Purity
97%
Packaging
250mg
Price
$63
Updated
2021/12/16
SynQuest Laboratories
Product number
2723-9-22
Product name
Methyl 5-bromo-2-(bromomethyl)benzoate
Packaging
250mg
Price
$68
Updated
2021/12/16
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5-BROMO-2-BROMOMETHYL-BENZOIC ACID METHYL ESTER Chemical Properties,Usage,Production

Uses

Methyl 5-bromo-2-bromotoluate is a carboxylic acid ester derivative and can be used as a pharmaceutical intermediate.

Synthesis

79669-50-4

79670-17-0

Methyl 5-bromo-2-methylbenzoate (1 g, 4.4 mmol) was added to N-bromosuccinimide (0.80 g, 4.4 mmol) and benzoyl peroxide (56 mg, 0.23 mmol) in carbon tetrachloride (20 mL). The reaction mixture was stirred at 85°C for 2 hours. Upon completion of the reaction, the mixture was filtered through a silica gel pad and subsequently concentrated under vacuum to afford the target product methyl 5-bromo-2-bromomethylbenzoate (1.3 g, 97% yield). The structure of the product was confirmed by ESI-MS, m/z: 306.0 [M + H]+.

References

[1] Patent: WO2018/68017, 2018, A1. Location in patent: Page/Page column 144
[2] Organic and Biomolecular Chemistry, 2017, vol. 15, # 48, p. 10172 - 10183
[3] Patent: WO2014/76104, 2014, A1. Location in patent: Page/Page column 63
[4] Patent: CN107474006, 2017, A. Location in patent: Paragraph 0050; 0051; 0053; 0056-0057; 0059; 0062-0063; 0065
[5] Patent: WO2008/23161, 2008, A1. Location in patent: Page/Page column 116-117

5-BROMO-2-BROMOMETHYL-BENZOIC ACID METHYL ESTER Preparation Products And Raw materials

Raw materials

Preparation Products

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5-BROMO-2-BROMOMETHYL-BENZOIC ACID METHYL ESTER Suppliers

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View Lastest Price from 5-BROMO-2-BROMOMETHYL-BENZOIC ACID METHYL ESTER manufacturers

Shaanxi Dideu New Materials Co. Ltd
Product
2-Fluoro-35-(methylthio)pyridine 79670-17-0
Price
US $0.00/kg
Min. Order
1kg
Purity
98%
Supply Ability
1000kg
Release date
2025-09-29
Shaanxi Dideu New Materials Co. Ltd
Product
5-BROMO-2-BROMOMETHYL-BENZOIC ACID METHYL ESTER 79670-17-0
Price
US $0.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
10000KGS
Release date
2025-02-23
Career Henan Chemical Co
Product
Methyl 5-bromo-2-(bromomethyl)benzoate 79670-17-0
Price
US $1.00/g
Min. Order
1g
Purity
99%
Supply Ability
10000KGS
Release date
2020-01-09