4-n-Butyl-2-methylphenyl isothiocyanate

Base Information

• Chemical Name: 4-n-Butyl-2-methylphenyl isothiocyanate
• CAS No.: 175205-37-5
• Molecular Formula: C₁₂H₁₅NS
• Molecular Weight: 205.324
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID60427254
• Mol file: 175205-37-5.mol

Synonyms:4-n-Butyl-2-methylphenyl isothiocyanate;175205-37-5;4-butyl-1-isothiocyanato-2-methylbenzene;SCHEMBL6896659;DTXSID60427254;4-n-butyl-2-methylphenylisothiocyanate;BP-12939;?4-N-BUTYL-2-METHYLPHENYL ISOTHIOCYANATE

Chemical Property of 4-n-Butyl-2-methylphenyl isothiocyanate

Chemical Property:

• Vapor Pressure: 0.00111mmHg at 25°C
• Boiling Point: 310.3°Cat760mmHg
• Flash Point: 146.9°C
• PSA: 44.45000
• Density: 0.98g/cm³
• LogP: 4.07190
• Sensitive.: Moisture Sensitive
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 205.09252066
• Heavy Atom Count: 14
• Complexity: 208

Purity/Quality:

98%Min ^*data from raw suppliers

4-N-Butyl-2-methylphenylisothiocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R23/24/25:
• Hazard Codes: R23/24/25:
• Statements: 23/24/25
• Safety Statements: 36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC(=C(C=C1)N=C=S)C