3-(2-Bromo-4,5-dimethoxyphenyl)propanoic acid

Modify Date: 2025-12-01 18:17:08

3-(2-Bromo-4,5-dimethoxyphenyl)propanoic acid Structure
3-(2-Bromo-4,5-dimethoxyphenyl)propanoic acid structure
Common Name 3-(2-Bromo-4,5-dimethoxyphenyl)propanoic acid
CAS Number 52679-49-9 Molecular Weight 289.12300
Density 1.463g/cm3 Boiling Point 388.3ºC at 760mmHg
Molecular Formula C11H13BrO4 Melting Point N/A
MSDS N/A Flash Point 188.6ºC

 Names

Name Benzenepropanoic acid, 2-bromo-4,5-dimethoxy- (9CI)
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.463g/cm3
Boiling Point 388.3ºC at 760mmHg
Molecular Formula C11H13BrO4
Molecular Weight 289.12300
Flash Point 188.6ºC
Exact Mass 288.00000
PSA 55.76000
LogP 2.48350
Index of Refraction 1.551
InChIKey SJTJBIRPIITRRT-UHFFFAOYSA-N
SMILES COc1cc(Br)c(CCC(=O)O)cc1OC

 Safety Information

HS Code 2918990090

 Synthetic Route

~80%

3-(2-Bromo-4,5-dimethoxyphenyl)propanoic acid Structure

3-(2-Bromo-4,5-...

CAS#:52679-49-9

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Literature: Vincze, Zoltan; Biro, A. Beatrix; Csekei, Marton; Timari, Geza; Kotschy, Andras Synthesis, 2006 , # 8 p. 1375 - 1385

~%

3-(2-Bromo-4,5-dimethoxyphenyl)propanoic acid Structure

3-(2-Bromo-4,5-...

CAS#:52679-49-9

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Literature: Sargent,L.J. Journal of Organic Chemistry, 1961 , vol. 26, p. 1754 - 1758

~%

3-(2-Bromo-4,5-dimethoxyphenyl)propanoic acid Structure

3-(2-Bromo-4,5-...

CAS#:52679-49-9

Learn More
Literature: Sargent,L.J. Journal of Organic Chemistry, 1961 , vol. 26, p. 1754 - 1758

~%

3-(2-Bromo-4,5-dimethoxyphenyl)propanoic acid Structure

3-(2-Bromo-4,5-...

CAS#:52679-49-9

Learn More
Literature: Sargent,L.J. Journal of Organic Chemistry, 1961 , vol. 26, p. 1754 - 1758

~%

3-(2-Bromo-4,5-dimethoxyphenyl)propanoic acid Structure

3-(2-Bromo-4,5-...

CAS#:52679-49-9

Learn More
Literature: Sargent,L.J. Journal of Organic Chemistry, 1961 , vol. 26, p. 1754 - 1758

~%

3-(2-Bromo-4,5-dimethoxyphenyl)propanoic acid Structure

3-(2-Bromo-4,5-...

CAS#:52679-49-9

Learn More
Literature: Sargent,L.J. Journal of Organic Chemistry, 1961 , vol. 26, p. 1754 - 1758

~%

3-(2-Bromo-4,5-dimethoxyphenyl)propanoic acid Structure

3-(2-Bromo-4,5-...

CAS#:52679-49-9

Learn More
Literature: Whaley; Robinson Journal of Organic Chemistry, 1954 , vol. 19, p. 1029,1031

 Customs

HS Code 2918990090
Summary 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Bioassay

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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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 Synonyms

5-diMethoxy
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