甲基膦酸二甲酯

外观与性状：

无色液体

密度：

1.145 g/mL at 25 °C(lit.)

沸点：

181 °C(lit.)

闪点：

156 °F

水溶解性：

>=10 g/100 mL at 21 ºC

折射率：

n20/D 1.413(lit.)

存储条件/存储方法：

储运时应保持阴凉干燥通风。

稳定性相关：

 

其它信息：

1.       性状：低黏度无色或浅黄色透明液体

2.       密度（g/mL,25/4℃）：1.145

3.       相对蒸汽密度（g/mL,空气=1）：未确定

4.       熔点（ºC）：未确定

5.       沸点（ºC,常压）：181

6.       沸点（ºC,5.2kPa）：未确定

7.       折射率：1.413

8.       闪点（ºF）：156

9.       比旋光度（º）：未确定

10.    自燃点或引燃温度（ºC）：未确定

11.   溶解性：与水及多种有机溶剂互溶。

WGK_Germany：

2
德国有关水污染物质的分类清单

危险类别码：

R36;R46

安全说明：

S53-S26-S45

RTECS号：

SZ9120000

安全标志：

S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
S53:避免暴露——使用前先阅读专门的说明。

危险标志：

T:Toxic;

CHEMICAL IDENTIFICATION

RTECS NUMBER :

SZ9120000

CHEMICAL NAME :

Phosphonic acid, methyl-, dimethyl ester

CAS REGISTRY NUMBER :

756-79-6

BEILSTEIN REFERENCE NO. :

0878263

LAST UPDATED :

199710

DATA ITEMS CITED :

30

MOLECULAR FORMULA :

C3-H9-O3-P

MOLECULAR WEIGHT :

124.09

WISWESSER LINE NOTATION :

1OPO&1&O1

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 :

8210 mg/kg

TOXIC EFFECTS :

Behavioral - muscle weakness

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1050 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

>6810 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

912 mg/kg

TOXIC EFFECTS :

Behavioral - muscle weakness Lungs, Thorax, or Respiration - respiratory depression Lungs, Thorax, or Respiration - other changes

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Bird - chicken

DOSE/DURATION :

3998 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Behavioral - ataxia

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

75 gm/kg/15D-C

TOXIC EFFECTS :

Related to Chronic Data - death

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

130 gm/kg/13W-I

TOXIC EFFECTS :

Liver - changes in liver weight Related to Chronic Data - death

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

150 gm/kg/15D-C

TOXIC EFFECTS :

Gastrointestinal - gastritis Gastrointestinal - other changes Related to Chronic Data - death

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

260 gm/kg/13W-I

TOXIC EFFECTS :

Related to Chronic Data - death

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

515 gm/kg/2Y-C

TOXIC EFFECTS :

Tumorigenic - Carcinogenic by RTECS criteria Kidney, Ureter, Bladder - Kidney tumors

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

63 gm/kg

SEX/DURATION :

male 63 day(s) pre-mating

TOXIC EFFECTS :

Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) Reproductive - Fertility - male fertility index (e.g. # males impregnating females per # males exposed to fertile nonpregnant females)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

126 gm/kg

SEX/DURATION :

male 63 day(s) pre-mating

TOXIC EFFECTS :

Reproductive - Paternal Effects - testes, epididymis, sperm duct Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland, accessory glands

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

15750 mg/kg

SEX/DURATION :

male 63 day(s) pre-mating

TOXIC EFFECTS :

Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

61250 mg/kg

SEX/DURATION :

male 7 week(s) pre-mating

TOXIC EFFECTS :

Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) Reproductive - Paternal Effects - testes, epididymis, sperm duct

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

10 gm/kg

SEX/DURATION :

male 20 day(s) pre-mating

TOXIC EFFECTS :

Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

33 gm/kg

SEX/DURATION :

female 7-14 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

33400 mg/kg

SEX/DURATION :

female 6-13 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)

TYPE OF TEST :

Specific locus test

TYPE OF TEST :

Sperm Morphology

TYPE OF TEST :

Dominant lethal test

MUTATION DATA

TYPE OF TEST :

Sister chromatid exchange

TEST SYSTEM :

Rodent - hamster Ovary

DOSE/DURATION :

11 gm/L

REFERENCE :

MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 189,15,1987 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - A1091 No. of Facilities: 35 (estimated) No. of Industries: 2 No. of Occupations: 4 No. of Employees: 204 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - A1091 No. of Facilities: 53 (estimated) No. of Industries: 5 No. of Occupations: 8 No. of Employees: 2134 (estimated) No. of Female Employees: 763 (estimated)

毒理学数据：

小鼠口服LD 2838mg/kg

分子结构数据

1、   摩尔折射率：26.31

2、   摩尔体积（cm³/mol）：114.9

3、   等张比容（90.2K）：262.9

4、   表面张力（dyne/cm）：27.4

5、   介电常数：

6、   偶极距（10^-24cm³）：

7、   极化率：10.43

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:0

3.氢键受体数量:3

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积35.5

7.重原子数量:7

8.表面电荷:0

9.复杂度:82.2

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:1

• 
  甲基膦酸二甲酯质谱(MS)
• 
  甲基膦酸二甲酯核磁图(¹³CNMR)
• 
  甲基膦酸二甲酯核磁图(¹HNMR)
• 
  甲基膦酸二甲酯红外图谱(IR1)
• 
  甲基膦酸二甲酯Raman光谱