Methyl 5-bromo-2-cyanobenzoate

Base Information

• Chemical Name: Methyl 5-bromo-2-cyanobenzoate
• CAS No.: 714237-95-3
• Molecular Formula: C9H6BrNO2
• Molecular Weight: 240.05344
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID20697517
• Wikidata: Q82627437
• Mol file: 714237-95-3.mol

Synonyms:METHYL 5-BROMO-2-CYANOBENZOATE;714237-95-3;MFCD15523586;Benzoic acid, 5-bromo-2-cyano-, methyl ester;BENZOIC ACID,5-BROMO-2-CYANO-,METHYL ESTER;DTXSID20697517;AB7468;METHYL5-BROMO-2-CYANOBENZOATE;AKOS016006923;DS-17716;SY103163;5-Bromo-2-cyano-benzoic acid methyl ester;CS-0105632;FT-0748017;EN300-747249;Z1269229146

Chemical Property of Methyl 5-bromo-2-cyanobenzoate

Chemical Property:

• Boiling Point: 337.732 °C at 760 mmHg
• Flash Point: 158.055 °C
• PSA: 50.09000
• Density: 1.608 g/cm³
• LogP: 2.10738
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 238.95819
• Heavy Atom Count: 13
• Complexity: 245

Purity/Quality:

97% ^*data from raw suppliers

BENZOICACID,5-BROMO-2-CYANO-,METHYLESTER 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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