22042-96-2

• 常用中文名：二亚乙基三胺五亚甲基膦酸x钠盐-DTPMPNax
• 常用英文名：Diethylenetriaminepenta(methylenephosphonicacid) sodium salt
• CAS号：22042-96-2
• 分子式：C₉H₁₈N₃Na₁₀O₁₅P₅
• 分子量：793.01700
• 相关类别： 有机原料 有机膦化合物
• 发布时间：2018-05-12 08:00:00
• 更新时间：2024-01-02 17:26:26

名称

• 中文名: 二乙烯三胺五亚甲基膦酸钠
• 英文名: sodium,[2-[2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methyl-hydroxyphosphinate
• 中文别名: [[(磷酰甲基)亚氨]双[2,1-亚乙次氮双(亚甲基)]]四膦酸钠盐; 二乙烯三胺五甲基膦酸钠 DTPMPNAX; 二亚乙基三胺五亚甲基膦酸钠
• 英文别名: Dequest 2066 deflocculant and sequestrant; Diethylenetriaminepenta(methylenephosphonicacid) sodium salt; Dequest 2066; Phosphonic acid,((bis(2-(bis(phosphonomethyl)amino)ethyl)amino)methyl)-,sodium salt; Briquest 543-33S; EINECS 244-751-4; Wayplex 55S; Sequion 40Na32; (((Phosphonomethyl)imino)bis((ethylenenitrilo)bis(methylene)))tetrakisphosphonic acid,sodium salt

物化性质

• 密度: 1.945g/cm3
• 沸点: 1003.3ºC at 760mmHg
• 分子式: C₉H₁₈N₃Na₁₀O₁₅P₅
• 分子量: 793.01700
• 闪点: 560.6ºC
• 精确质量: 792.84000
• PSA: 374.72000
• LogP: 1.95040
• 储存条件: 室温
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:9

  3.氢键受体数量:18

  4.可旋转化学键数量:16

  5.互变异构体数量:无

  6.拓扑分子极性表面积:300

  7.重原子数量:33

  8.表面电荷:0

  9.复杂度:813

  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:0

  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:2

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : TA0411000 CHEMICAL NAME : Phosphonic acid, (((phosphonomethyl)imino)bis(2,1-ethanediylnitrilobis (methylene)))tetrakis -, sodium salt CAS REGISTRY NUMBER : 22042-96-2 LAST UPDATED : 199710 DATA ITEMS CITED : 6 MOLECULAR FORMULA : C9-H28-N3-O15-P5.xNa HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : >5 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-0790-0950/0951 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : >5 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-0790-0950/0951 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Bird - quail DOSE/DURATION : >2510 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-0790-0950/0951 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Bird - duck DOSE/DURATION : >2510 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-0790-0950/0951