Halacrinate

Base Information

• Chemical Name: Halacrinate
• CAS No.: 34462-96-9
• Molecular Formula: C12H7 Br Cl N O2
• Molecular Weight: 312.55
• Hs Code.: 2933499011
• European Community (EC) Number: 252-049-4
• UNII: 2PC0JJ594N
• DSSTox Substance ID: DTXSID7042017
• Nikkaji Number: J19.889G
• Wikidata: Q27155734
• Mol file: 34462-96-9.mol

Synonyms:Halacrinate;34462-96-9;Halacrinate [ISO];5-Chloro-7-bromo-8-quinolyl vinyl carbonate;CGA 30599;EINECS 252-049-4;BRN 1470063;UNII-2PC0JJ594N;7-Bromo-5-chloroquinolin-8-yl acrylate;8-Acryloyloxy-7-bromo-5-chloroquinoline;2-Propenoic acid, 7-bromo-5-chloro-8-quinolinyl ester;2PC0JJ594N;(7-bromo-5-chloroquinolin-8-yl) prop-2-enoate;Acriquinate;Halacrinat;C12H7BrClNO2;SCHEMBL160779;C12-H7-Br-Cl-N-O2;DTXSID7042017;CHEBI:82082;CGA-30599;LS-123578;7-BROMO-5-CHLORO-8-QUINOLYL ACRYLATE;C18941;7-BROMO-5-CHLORO-8-QUINOLINYL 2-PROPENOATE;Q27155734

Chemical Property of Halacrinate

Chemical Property:

• Vapor Pressure: 9.08E-08mmHg at 25°C
• Melting Point: 100.5°C
• Refractive Index: 1.6110 (estimate)
• Boiling Point: 435°Cat760mmHg
• Flash Point: 216.9°C
• PSA: 48.42000
• Density: 1.609g/cm³
• LogP: 4.30960
• Water Solubility.: 6mg/L(20 oC)
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 310.93487
• Heavy Atom Count: 17
• Complexity: 313

Purity/Quality:

5-CHLORO-7-BROMO-8-QUINOLYL VINYL CARBONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC(=O)OC1=C(C=C(C2=C1N=CC=C2)Cl)Br

Technology Process of Halacrinate

There total 1 articles about Halacrinate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ 2-propenoic acid, 7-bromo-5-chloro-8-quinolinyl ester (34462-96-9)

Guidance literature:

entspr. 8-OH-Chinolin, Acrylsaeurechlorid;