3-Chloro-2-hydroxy-3-methyl-2-phenyl-butanenitrile

Base Information

• Chemical Name: 3-Chloro-2-hydroxy-3-methyl-2-phenyl-butanenitrile
• CAS No.: 5445-33-0
• Molecular Formula: C11H12 Cl N O
• Molecular Weight: 209.67
• NSC Number: 21993
• DSSTox Substance ID: DTXSID50281564
• Mol file: 5445-33-0.mol

Synonyms:5445-33-0;NSC21993;3-CHLORO-2-HYDROXY-3-METHYL-2-PHENYL-BUTANENITRILE;DTXSID50281564;NSC-21993

Chemical Property of 3-Chloro-2-hydroxy-3-methyl-2-phenyl-butanenitrile

Chemical Property:

• Vapor Pressure: 1.55E-05mmHg at 25°C
• Boiling Point: 351.2°Cat760mmHg
• Flash Point: 166.2°C
• PSA: 44.02000
• Density: 1.198g/cm³
• LogP: 2.41518
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 209.0607417
• Heavy Atom Count: 14
• Complexity: 249

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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