321898-79-7
4-methyl-3-nitro-phenyl isothiocyanate
Name4-methyl-3-nitro-phenyl isothiocyanate
1Identification
【Name】
4-methyl-3-nitro-phenyl isothiocyanate
【CAS】
【MDL】
【English Synonyms】
【Formula】
C8H6N2O2S
【MolWeight】
194.21
【Inchi】
InChI=1S/C8H6N2O2S/c1-6-2-3-7(9-5-13)4-8(6)10(11)12/h2-4H,1H3
【InChIKey】
InChIKey=USIRHWNHZJWHQH-UHFFFAOYSA-N
【SMILES】
CC1=C(C=C(C=C1)N=C=S)[N+](=O)[O-]
【MOL File】
4-methyl-3-nitro-phe….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
4-methyl-3-nitro-phenyl isothiocyanate.cml