5-Bromo-2-Methoxycinnamic Acid

Base Information

• Chemical Name: 5-Bromo-2-Methoxycinnamic Acid
• CAS No.: 40803-53-0
• Molecular Formula: C₁₀H₉BrO₃
• Molecular Weight: 257.084
• Hs Code.: 2918990090
• European Community (EC) Number: 620-610-6
• Nikkaji Number: J106.760E,J308.219I
• Wikidata: Q106902801
• Mol file: 40803-53-0.mol

Synonyms:5-Bromo-2-Methoxycinnamic Acid;40803-53-0;3-(5-Bromo-2-methoxyphenyl)acrylic acid;(2E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoic acid;(E)-3-(5-bromo-2-methoxyphenyl)acrylic acid;(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoic acid;60491-16-9;(2E)-3-(5-BROMO-2-METHOXYPHENYL)ACRYLIC ACID;Substance H 47;SCHEMBL1285839;SCHEMBL1285840;NIOSH/GD8421500;HMS1476J02;Acide bromo-5-methoxy-2-cinnamique;MFCD00017596;STK397750;trans-3-Bromo-6-methoxycinnamic acid;trans-5-Bromo-2-methoxycinnamic acid;AKOS000109276;AKOS023867789;PS-5871;IDI1_020222;NCGC00172842-01;NCGC00172842-02;Cinnamic acid, 3-bromo-6-methoxy-, (E)-;Acide bromo-5-methoxy-2-cinnamique [French];BB 0245725;CS-0036125;GD84215000;EN300-832889;W13146;AB00112762-01;AB00112762-03;(E)-3-(5-Bromo-2-methoxy-phenyl)-acrylic acid;(E)-3-(5-Bromo-2-methoxy-phenyl)-acrylic acid;(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoate;A825297;SR-01000430068;SR-01000430068-1;BRD-K87296278-001-01-8;Z2312258768;InChI=1/C10H9BrO3/c1-14-9-4-3-8(11)6-7(9)2-5-10(12)13/h2-6H,1H3,(H,12,13)/b5-2

Chemical Property of 5-Bromo-2-Methoxycinnamic Acid

Chemical Property:

• Appearance/Colour: off-white to light beige crystalline powder
• Vapor Pressure: 1.68E-06mmHg at 25°C
• Melting Point: 224-227 °C(lit.)
• Boiling Point: 381.5 °C at 760 mmHg
• Flash Point: 184.5 °C
• PSA: 46.53000
• Density: 1.555 g/cm³
• LogP: 2.55550
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 255.97351
• Heavy Atom Count: 14
• Complexity: 227

Purity/Quality:

99% ^*data from raw suppliers

5-Bromo-2-methoxycinnamicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)Br)C=CC(=O)O
• Isomeric SMILES: COC1=C(C=C(C=C1)Br)/C=C/C(=O)O