cas号： 22042-96-2 ，名称：二乙烯三胺五亚甲基膦酸钠的性质/作用/用途-化学加百科

二乙烯三胺五亚甲基膦酸钠

二乙烯三胺五亚甲基膦酸钠基本信息
CAS号	22042-96-2	分子式	C9H18N3Na10O15P5
分子量	793.01700	精确质量	792.84000
PSA	374.72000	LogP	1.95040

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基本信息制备方法与用途物化性质毒性结构与计算数据

基本信息展开↓

CAS号：: 22042-96-2
分子式：: C9H18N3Na10O15P5
分子量：: 793.01700
中文名称：: 二乙烯三胺五亚甲基膦酸钠
英文名称：: sodium,[2-[2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methyl-hydroxyphosphinate
中文别名：: 二乙烯三胺五亚甲基膦酸钠;
[[(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：: sodium,[2-[2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methyl-hydroxyphosphinate;
Diethylenetriaminepenta(methylenephosphonicacid) sodium salt;
Sequion 40Na32;
EINECS 244-751-4;
(((Phosphonomethyl)imino)bis((ethylenenitrilo)bis(methylene)))tetrakisphosphonic acid,sodium salt;
Dequest 2066;
Dequest 2066 deflocculant and sequestrant;
Phosphonic acid,((bis(2-(bis(phosphonomethyl)amino)ethyl)amino)methyl)-,sodium salt;
Wayplex 55S;
Briquest 543-33S
精确分子量/精确质量：: 792.84000
极性分子表面积/PSA：: 374.72000
油水分配系数/LogP：: LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
EINECS：: 244-751-4
InChI：: InChI=1/C9H33N3O30P10.20Na/c13-43(14,15)5(44(16,17)18)10(1-3-11(6(45(19,20)21)46(22,23)24)7(47(25,26)27)48(28,29)30)2-4-12(8(49(31,32)33)50(34,35)36)9(51(37,38)39)52(40,41)42;;;;;;;;;;;;;;;;;;;;/h5-9H,1-4H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23

生产制备方法及用途展开↓

制备方法

DTPMPNax是DTPMP的不同形式钠盐组成,DTPMPNax可用作阻垢剂、高效螯合剂、优良的BaSO4阻垢剂,广泛用于冷却水处理、过氧化物漂白的稳定剂、洗涤助剂、市政工业清洁用水、地热水处理、油田阻垢。

用途简介

物化性质展开↓

密度：: 1.945g/cm3
沸点：: 1003.3ºC at 760mmHg
闪点：: 560.6ºC

毒理性展开↓

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

分子结构与计算化学数据展开↓

计算化学数据

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