63116-18-7 ((Benzenamine, 4-[(2,4-dinitrophenyl)dithio]-N,N-dimethyl-)

CAS号:
63116-18-7
英文名称:
Benzenamine, 4-[(2,4-dinitrophenyl)dithio]-N,N-dimethyl-
分子式:
C14H13N3O4S2
分子量:
351.400720357895

Benzenamine, 4-[(2,4-dinitrophenyl)dithio]-N,N-dimethyl-(63116-18-7)名称与标识符

名称

英文别名:
Benzenamine, 4-[(2,4-dinitrophenyl)dithio]-N,N-dimethyl-;

标识符

InChIKey:
NZKCZGLQLYFUHU-UHFFFAOYSA-N
Inchi:
1S/C14H13N3O4S2/c1-15(2)10-3-6-12(7-4-10)22-23-14-8-5-11(16(18)19)9-13(14)17(20)21/h3-9H,1-2H3
SMILES:
C1(N(C)C)=CC=C(SSC2=CC=C([N+]([O-])=O)C=C2[N+]([O-])=O)C=C1

Benzenamine, 4-[(2,4-dinitrophenyl)dithio]-N,N-dimethyl-(63116-18-7)物化性质

实验特性

  • PSA : 89.52
  • 沸点 : 496.9±45.0 °C(Predicted)
  • 熔点 : 151-152 °C(Solv: 1-butanol (71-36-3))
  • 酸度系数(pKa) : 3.54±0.24(Predicted)
  • 密度 : 1.46±0.1 g/cm3(Predicted)

计算特性

  • 精确分子量 : 351.03489