(4-[1,2,3]Thiadiazol-4-Yl-Phenyl)-Acetonitrile

Base Information

• Chemical Name: (4-[1,2,3]Thiadiazol-4-Yl-Phenyl)-Acetonitrile
• CAS No.: 175205-46-6
• Molecular Formula: C10H7N3S
• Molecular Weight: 201.25
• DSSTox Substance ID: DTXSID90371973
• Wikidata: Q82159551
• Mol file: 175205-46-6.mol

Synonyms:175205-46-6;(4-[1,2,3]Thiadiazol-4-Yl-Phenyl)-Acetonitrile;2-[4-(thiadiazol-4-yl)phenyl]acetonitrile;2-(4-(1,2,3-Thiadiazol-4-yl)phenyl)acetonitrile;2-[4-(1,2,3-thiadiazol-4-yl)phenyl]acetonitrile;4-(1,2,3-Thiadiazol-4-yl)phenylacetonitrile;Benzeneacetonitrile,4-(1,2,3-thiadiazol-4-yl)-;DTXSID90371973;MFCD00052105;AKOS015912138;[4-(1,2,3-Thiadiazol-4-yl)phenyl]acetonitrile

Chemical Property of (4-[1,2,3]Thiadiazol-4-Yl-Phenyl)-Acetonitrile

Chemical Property:

• Vapor Pressure: 2.55E-06mmHg at 25°C
• Refractive Index: 1.616
• Boiling Point: 391 °C at 760 mmHg
• Flash Point: 190.3 °C
• PSA: 77.81000
• Density: 1.283 g/cm³
• LogP: 2.27118
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 201.03606841
• Heavy Atom Count: 14
• Complexity: 227

Purity/Quality:

99% ^*data from raw suppliers

4-(1,2,3-Thiadiazol-4-yl)phenylacetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC#N)C2=CSN=N2