Bromoenol lactone

Base Information

• Chemical Name: Bromoenol lactone
• CAS No.: 88070-98-8
• Molecular Formula: C16H13 Br O2
• Molecular Weight: 317.18
• European Community (EC) Number: 635-829-2
• DSSTox Substance ID: DTXSID001017361
• Nikkaji Number: J531.946C
• Wikidata: Q27075527
• Pharos Ligand ID: SZ88W9K5MGHN
• ChEMBL ID: CHEMBL6206
• Mol file: 88070-98-8.mol

Synonyms:6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2H-pyran-2-one;6-(bromomethylene)tetrahydro-3-(1-naphthalenyl)-2H-pyran-2-one;6-BTNPO;bromoenol lactone;HELSS

Chemical Property of Bromoenol lactone

Chemical Property:

• Vapor Pressure: 6.78E-09mmHg at 25°C
• Melting Point: 103-106℃
• Boiling Point: 467°C at 760 mmHg
• Flash Point: 236.2°C
• PSA: 26.30000
• Density: 1.538g/cm³
• LogP: 4.49670
• Storage Temp.: −20°C
• Solubility.: DMSO: Dilute in aqueous medium immediately prior to use and stor
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 316.00989
• Heavy Atom Count: 19
• Complexity: 377

Purity/Quality:

98%,99%, ^*data from raw suppliers

HELSS(Haloenollactonesuicidesubstrate,BEL,Bromoenollactone) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=CBr)OC(=O)C1C2=CC=CC3=CC=CC=C32
• Isomeric SMILES: C1C/C(=C\Br)/OC(=O)C1C2=CC=CC3=CC=CC=C32
• Uses: HELSS (Haloenol lactone suicide substrate, BEL, Bromoenol lactone) is an inhibitor of Ca-independent PLA2 and Mg-dependent PAP.