Methyl 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoprop-2-enoate

Base Information

• Chemical Name: Methyl 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoprop-2-enoate
• CAS No.: 158532-02-6
• Molecular Formula: C12H10 Br N O4
• Molecular Weight: 312.12
• DSSTox Substance ID: DTXSID60383649
• Mol file: 158532-02-6.mol

Synonyms:methyl 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoprop-2-enoate;DTXSID60383649;FT-0628479;DL-3-Amino-3-(4-nitro-phenyl)propionic acid

Chemical Property of Methyl 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoprop-2-enoate

Chemical Property:

• Vapor Pressure: 2.72E-07mmHg at 25°C
• Melting Point: 200 °C
• Refractive Index: 1.613
• Boiling Point: 409.6°Cat760mmHg
• PKA: 7.65±0.36(Predicted)
• Flash Point: 201.5°C
• PSA: 79.55000
• Density: 1.57g/cm³
• LogP: 2.24328
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 310.97932
• Heavy Atom Count: 18
• Complexity: 387

Purity/Quality:

98%Min ^*data from raw suppliers

METHYL 3-(3-BROMO-4-HYDROXY-5-METHOXYPHENYL)-2-CYANOACRYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Hazard Codes: Xn:Harmful
• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=CC(=C1)C=C(C#N)C(=O)OC)Br)O