2012-00-2

• 常用中文名：牛津郡苯硫膦
• 常用英文名：epn oxon
• CAS号：2012-00-2
• 分子式：C₁₄H₁₄NO₅P
• 分子量：307.23800
• 发布时间：2018-08-13 10:26:28
• 更新时间：2024-01-02 17:01:18

名称

• 中文名: 牛津郡苯硫膦
• 英文名: epn oxon
• 英文别名: o-ethylo-4-nitrophenylphenylphosphonate; phenyl-phosphonicaciethyl4-nitrophenylester; O-Ethyl-O-p-nitrophenyl-phenylphosphonat; O-Aethyl-O-<4-nitro-phenyl>-phenyl-phosphonsaeure; phenyl-phosphonic acid ethyl ester-(4-nitro-phenyl ester); Phenylphosphonsaeure-aethyl-(p-nitrophenyl)-ester; Phenyl-phosphonsaeure-aethylester-(4-nitro-phenylester); o-Ethyl o-p-nitrophenyl phenylphosphonate; Phenylphosphonic acid O-ethyl O-(p-nitrophenyl) ester; Phenylphosphonic acid ethyl 4-nitrophenyl ester; EPN Oxon Standard; PHOSPHONICACID,PHENYL-,ETHYL4-NITROPHENYLESTER

物化性质

• 密度: 1.31g/cm3
• 沸点: 436.2ºC at 760 mmHg
• 分子式: C₁₄H₁₄NO₅P
• 分子量: 307.23800
• 闪点: 217.6ºC
• 精确质量: 307.06100
• PSA: 91.16000
• LogP: 4.05190
• 蒸汽压: 2.11E-07mmHg at 25°C
• 折射率: 1.574
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:5

  4.可旋转化学键数量:5

  5.互变异构体数量:无

  6.拓扑分子极性表面积81.4

  7.重原子数量:21

  8.表面电荷:0

  9.复杂度:383

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:1

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

毒性和生态

毒理学数据: 1、急性毒性：大鼠经皮下LD50：600μg/kg； CHEMICAL IDENTIFICATION RTECS NUMBER : TA0380000 CHEMICAL NAME : Phosphonic acid, phenyl-, ethyl 4-nitrophenyl ester CAS REGISTRY NUMBER : 2012-00-2 BEILSTEIN REFERENCE NO. : 2949526 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C14-H14-N-O5-P MOLECULAR WEIGHT : 307.26 WISWESSER LINE NOTATION : WNR DOPO&R&O2 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 600 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JEENAI Journal of Economic Entomology. (Entomological Soc. of America, 4603 Calvert Rd., College Park, MD 20740) V.1- 1908- Volume(issue)/page/year: 50,356,1957