5254-12-6 (Phosphoric acid, 2-methylphenyl diphenyl ester,PHOSPHORIC ACID, 2-METHYLPHENYL DIPHENYL ESTER)

CAS号:
5254-12-6
中文名称:
Phosphoric acid, 2-methylphenyl diphenyl ester
英文名称:
PHOSPHORIC ACID, 2-METHYLPHENYL DIPHENYL ESTER
分子式:
C19H17O4P
分子量:
340.309646368027

Phosphoric acid, 2-methylphenyl diphenyl ester(5254-12-6)名称与标识符

名称

中文别名:
DIPHENYL-O-TOLYL PHOSHATE;邻甲苯基磷酸二苯酯;
英文别名:
PHOSPHORIC ACID, 2-METHYLPHENYL DIPHENYL ESTER;XMNDMAQKWSQVOV-UHFFFAOYSA-N;Diphenyl-o-tolyl phoshate;diphenyl o-tolyl phosphate;Cresol diphenyl phosphate;Diphenyl tolyl phosphate;Disflamoll DPK (Salt/Mix);Phosphoric acid, methylphenyl diphenyl ester;Kronitex CDP (Salt/Mix);4P1854YU14;Diphenyl cresol phosphate;CCRIS 4773;NS00019488;Santicizer 140 (Salt/Mix);UNII-4P1854YU14;Phenyl o-tolyl phosphate;HSDB 6096;EINECS 247-693-8;Q21547024;CDPhP;Tolyl diphenyl phosphate;AI3-07853;5254-12-6;(2-methylphenyl) diphenyl phosphate;Methylphenyl diphenyl phosphate;Disflamoll DPK;Phosflex 112 (Salt/Mix);Phosphoric acid, diphenyl o-tolyl ester;2-Methylphenyl diphenyl phosphate;Phosphoric acid, methylphenyldiphenyle;D97372;Mono-o-cresyl diphenyl phosphate;AKOS028108687;SCHEMBL866536;Diphenylcresyl phosphate;o-Cresyl diphenylphosphate;o-Cresyl diphenyl phosphate;Santicizer 140;DTXSID70200530;o-Tolyldiphenylphosphate;Kronitex CDP;Phosflex 112;Phosphoric acid, diphenyl tolyl ester;Cresyl diphenylphosphate;DTXCID501323298;DTXSID3024861;PHOSPHORIC ACID, METHYLPHENYL DIPHENYL ESTER (9CI);PHOSPHORIC ACID, METHYLPHENYL DIPHENYL ESTER(9CI);Cresyldiphenyl phosphate;

标识符

MDL:
MFCD00506431
InChIKey:
XMNDMAQKWSQVOV-UHFFFAOYSA-N
Inchi:
1S/C19H17O4P/c1-16-10-8-9-15-19(16)23-24(20,21-17-11-4-2-5-12-17)22-18-13-6-3-7-14-18/h2-15H,1H3
SMILES:
P(=O)(OC1C=CC=CC=1)(OC1C=CC=CC=1)OC1C=CC=CC=1C

Phosphoric acid, 2-methylphenyl diphenyl ester(5254-12-6)物化性质

实验特性

  • LogP : log Kow = 4.51

计算特性

  • 精确分子量 : 340.08644602g/mol
  • 氢键供体数量 : 0
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 6
  • 同位素质量 : 340.08644602g/mol
  • 重原子数量 : 24
  • 复杂度 : 392
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 5.3
  • 拓扑分子极性表面积 : 44.8Ų

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