1-Bromo-4-isothiocyanato-2-methylbenzene

Base Information

• Chemical Name: 1-Bromo-4-isothiocyanato-2-methylbenzene
• CAS No.: 71672-88-3
• Molecular Formula: C8H6BrNS
• Molecular Weight: 228.11
• Hs Code.: 2930909090
• European Community (EC) Number: 275-823-3
• DSSTox Substance ID: DTXSID70221907
• Nikkaji Number: J299.026A
• Mol file: 71672-88-3.mol

Synonyms:71672-88-3;4-Bromo-3-methylphenyl isothiocyanate;1-Bromo-4-isothiocyanato-2-methylbenzene;1-Bromo-4-isothiocyanato-o-toluene;EINECS 275-823-3;Benzene, 1-bromo-4-isothiocyanato-2-methyl-;Benzene,1-bromo-4-isothiocyanato-2-methyl-;SCHEMBL2886976;DTXSID70221907;MFCD00046804;AKOS000212452;1-Bromo-4-isothiocyanato-2-methylbenzene #;FT-0641360;1-bromanyl-4-isothiocyanato-2-methyl-benzene;A837281

Chemical Property of 1-Bromo-4-isothiocyanato-2-methylbenzene

Chemical Property:

• Boiling Point: 307.9 °C at 760 mmHg
• Flash Point: 140 °C
• PSA: 44.45000
• Density: 1.44 g/cm³
• LogP: 3.49180
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 226.94043
• Heavy Atom Count: 11
• Complexity: 177

Purity/Quality:

98%min ^*data from raw suppliers

4-Bromo-3-methylphenylIsothiocyanate ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)N=C=S)Br