ACETIC ACID, IODO-, DIESTER with meso-2,3-BUTANEDIOL

Base Information

• Chemical Name: ACETIC ACID, IODO-, DIESTER with meso-2,3-BUTANEDIOL
• CAS No.: 6305-45-9
• Molecular Formula: C8H12I2O4
• Molecular Weight: 425.99
• NSC Number: 41133
• DSSTox Substance ID: DTXSID50212378
• Nikkaji Number: J82.085G
• Wikidata: Q76304874
• Mol file: 6305-45-9.mol

Synonyms:S 72;ACETIC ACID, IODO-, DIESTER with meso-2,3-BUTANEDIOL;6305-45-9;meso-2,3-Butanediol-bis(iodoacetate);C8H12I2O4;DTXSID50212378;NSC41133;C8-H12-I2-O4;NSC-41133;S-72;Acetic acid, iodo-, 1,2-dimethyl-1,2-ethanediyl ester, (R*,S*)-

Chemical Property of ACETIC ACID, IODO-, DIESTER with meso-2,3-BUTANEDIOL

Chemical Property:

• Vapor Pressure: 4.23E-06mmHg at 25°C
• Boiling Point: 384°C at 760 mmHg
• Flash Point: 186°C
• PSA: 52.60000
• Density: 2.068g/cm³
• LogP: 1.71980
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 425.88250
• Heavy Atom Count: 14
• Complexity: 186

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(C)OC(=O)CI)OC(=O)CI
• Isomeric SMILES: C[C@H]([C@H](C)OC(=O)CI)OC(=O)CI

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