Valeric acid, 2,2-dibromo-, ethyl ester

Base Information

• Chemical Name: Valeric acid, 2,2-dibromo-, ethyl ester
• CAS No.: 63979-44-2
• Molecular Formula: C7H12 Br2 O2
• Molecular Weight: 287.977
• DSSTox Substance ID: DTXSID80213833
• Nikkaji Number: J96.692D
• Wikidata: Q83089448
• Mol file: 63979-44-2.mol

Synonyms:63979-44-2;Valeric acid, 2,2-dibromo-, ethyl ester;alpha,alpha-Dibromovaleric acid ethyl ester;Pentanoic acid, 2,2-dibromo-, ethyl ester;Valeric acid, alpha,alpha-dibromo-, ethyl ester;2,2-Dibromovaleric acid ethyl ester;DTXSID80213833

Chemical Property of Valeric acid, 2,2-dibromo-, ethyl ester

Chemical Property:

• Vapor Pressure: 0.0316mmHg at 25°C
• Boiling Point: 243.7°Cat760mmHg
• Flash Point: 101.2°C
• PSA: 26.30000
• Density: 1.655g/cm³
• LogP: 2.83570
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 287.91836
• Heavy Atom Count: 11
• Complexity: 134

Purity/Quality:

2,2-DIBROMOVALERIC ACID ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C(=O)OCC)(Br)Br