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3-BroMo-5-cyanobenzoic acid Methyl ester

CAS No.
453566-15-9
Chemical Name:
3-BroMo-5-cyanobenzoic acid Methyl ester
Synonyms
Methyl 3-BroMo-5-cyanobenzoate;Methyl-5-bromo-3-cyanobenzoate;3-BroMo-5-cyanobenzoic acid Methyl ester;Benzoic acid, 3-broMo-5-cyano-, Methyl ester;3-Bromo-5-cyanobenzoic acid methyl ester 97%
CBNumber:
CB32670804
Molecular Formula:
C9H6BrNO2
Molecular Weight:
240.05
MDL Number:
MFCD16620379
MOL File:
453566-15-9.mol
MSDS File:
SDS
Last updated:2026-05-28 01:09:14

3-BroMo-5-cyanobenzoic acid Methyl ester Properties

Boiling point 301.3±27.0 °C(Predicted)
Density 1.60±0.1 g/cm3(Predicted)
storage temp. Sealed in dry,Room Temperature
Appearance White to off-white Solid

SAFETY

Risk and Safety Statements

Symbol(GHS)  Skull and Crossbones (GHS06)
GHS06
Signal word  Danger
Hazard statements  H315-H319-H331-H335-H302+H312
Precautionary statements  P261-P280-P311-P305+P351+P338
HS Code  2916399090

3-BroMo-5-cyanobenzoic acid Methyl ester price

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Apolloscientific OR321015 3-Bromo-5-cyanobenzoic acid methyl ester 97% 453566-15-9 100mg $21 2026-06-04 Buy
Apolloscientific OR321015 3-Bromo-5-cyanobenzoic acid methyl ester 97% 453566-15-9 250mg $24 2026-06-04 Buy
Apolloscientific OR321015 3-Bromo-5-cyanobenzoic acid methyl ester 97% 453566-15-9 1g $32 2026-06-04 Buy
Apolloscientific OR321015 3-Bromo-5-cyanobenzoic acid methyl ester 97% 453566-15-9 5g $150 2026-06-04 Buy
Apolloscientific OR321015 3-Bromo-5-cyanobenzoic acid methyl ester 97% 453566-15-9 25g $636 2026-06-04 Buy
Product number Packaging Price Buy
OR321015 100mg $21 Buy
OR321015 250mg $24 Buy
OR321015 1g $32 Buy
OR321015 5g $150 Buy
OR321015 25g $636 Buy

3-BroMo-5-cyanobenzoic acid Methyl ester Chemical Properties, Uses, Production

Synthesis

Benzoic acid, 3-(aminocarbonyl)-5-bromo-, methyl ester

1427407-54-2

3-BroMo-5-cyanobenzoic acid Methyl ester

453566-15-9

General procedure: methyl 3-bromo-5-carbamoylbenzoate (2.8 g, 10.8 mmol, 1.0 eq.) was dissolved in POCl3 (30 mL) and the reaction mixture was heated to reflux at 100 °C overnight. After completion of the reaction, POCl3 was removed by distillation under reduced pressure, the residue was diluted with water and the aqueous phase was extracted with EtOAc (3 x 30 mL). The organic phases were combined, dried with anhydrous Na2SO4, filtered and concentrated under reduced pressure to give the crude product. The crude product was purified by silica gel column chromatography (petroleum ether/ethyl acetate, 20:1) to afford methyl 3-bromo-5-cyanobenzoate (2.5 g, 96% yield). The product was dissolved in THF (30 mL), LiOH-H2O (1.7 g, 41.6 mmol, 1.54 eq.) and H2O (10 mL) were added and stirred at room temperature overnight. After completion of the reaction, THF was removed under reduced pressure and the aqueous phase was acidified to pH 2-3 with dilute HCl and extracted with EtOAc (3 × 30 mL). The organic phases were combined, dried with anhydrous Na2SO4, filtered and concentrated under reduced pressure to give the crude product. The crude product was purified by silica gel column chromatography (CH2Cl2/MeOH, 50:1) to afford methyl 3-bromo-5-cyanobenzoate as a white solid (2 g, 85% yield).LC-MS: m/z 248.0, 249.9 [M + Na]+. 1H NMR (400 MHz, DMSO) δ 13.67 (br s, 1H), 8.40 (s , 1H), 8.24 (s, 1H), 8.24 (s, 1H).

References

[1] Patent: WO2013/37705, 2013, A2. Location in patent: Page/Page column 139

3-BroMo-5-cyanobenzoic acid Methyl ester Preparation Products And Raw materials

Raw materials

Preparation Products

Global Suppliers ( 64)
Supplier Tel Email Country ProdList Advantage
Shanghai Jian Chao Chemical Technology Co., Ltd. 150-2103-5486 18017383231 983544897@qq.com China 9336 55
Bide Pharmatech Ltd. 400-164-7117 18317119277 product02@bidepharm.com China 40000 60
ShangHai AmK Pharmaceutical Technology Co., Ltd. 微信 18019252918 18019252918 sale@amkchem.com China 14982 55
Cool Pharm, Ltd 021-60455363 18019463053 sales@coolpharm.com China 8455 58
Accela ChemBio Inc. +1(858) 699-3322 marketing@accelachem.com United States 6022 65
Changzhou Anxuan Chemical, Co., Ltd. 13912302692 sales@anxuanchem.com China 4824 58
Nanjing Chempioneer Pharmaceutical Co., Ltd. 18068075658 sales@chempioneer.com China 1803 58
Shanghai YuanYe Biotechnology Co., Ltd. 15026964105 2881489226@qq.com China 89667 60
Shanghai Changyan Chem & Tech Co., Ltd. 021-20242659 18930833303 sales@changyanchem.cn China 4998 55
Changzhou Hopschain Chemical Co.,Ltd. 85528066 13775048983 sales@hopschem.com China 31548 55

View Latest Price from 3-BroMo-5-cyanobenzoic acid Methyl ester manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
3-BroMo-5-cyanobenzoic acid Methyl ester pictures 2019-12-31 3-BroMo-5-cyanobenzoic acid Methyl ester
453566-15-9
$1.00 1KG 99% 100KG Career Henan Chemical Co

3-BroMo-5-cyanobenzoic acid Methyl ester Spectrum

3-BroMo-5-cyanobenzoic acid Methyl ester Benzoic acid, 3-broMo-5-cyano-, Methyl ester 3-Bromo-5-cyanobenzoic acid methyl ester 97% Methyl-5-bromo-3-cyanobenzoate Methyl 3-BroMo-5-cyanobenzoate 453566-15-9