868-85-9

• 常用中文名：亚磷酸二甲酯
• 常用英文名：Dimethyl phosphonate
• CAS号：868-85-9
• 分子式：C₂H₇O₃P
• 分子量：110.049
• 相关类别： 有机原料 无机酸酯
• 发布时间：2018-09-06 09:17:21
• 更新时间：2024-01-07 11:55:17
• 【用途一】
  亚磷酸二甲酯在农药上可直接用于合成有机磷杀虫剂敌百虫、除草剂草甘膦等，也可用于合成其他含磷中间体，如O，O-二甲基磷酰氯、O，O-二甲基硫(醇)代磷酸铵等。此外，它也是一种重要的有机合成原料，用于有机磷酸型缓蚀剂、塑料助剂、染料添加剂以及纺织品阻燃剂的生产。
  【用途二】
  用作润滑油添加剂、胶粘剂和某些有机合成中间体。用于合成杀虫剂氧化乐果、甲基硫环磷和除草剂草甘磷等。

名称

• 中文名: 亚磷酸二甲酯
• 英文名: Dimethyl phosphonate
• 中文别名: 磷酸二甲酯
• 英文别名: dimethyl H-phosphonate; Dimethylfosfit; Dimethyl phosphonate; dimethyl hydrogen phosphonate; Dimethylfosfonat; monomethyl methyl phosphonate; dimethylacidphosphite; phosphonic acid dimethyl ester; DIMETHYL PHOSPHITE; O,O-dimethyl phosphonate; (CH3O)2PHO; Phosphonic acid, dimethyl ester; Dimethylphosphit; EINECS 212-783-8; MFCD00044633

物化性质

• 密度: 1.2 g/mL at 25 °C(lit.)
• 沸点: 170.5±0.0 °C at 760 mmHg
• 分子式: C₂H₇O₃P
• 分子量: 110.049
• 闪点: 29.4±0.0 °C
• 精确质量: 110.013283
• PSA: 59.00000
• LogP: -1.31
• 外观性状: 无色液体
• 蒸汽压: 1.9±0.3 mmHg at 25°C
• 折射率: n20/D 1.402(lit.)
• 储存条件:

  储存在干爽的惰性气体下，保持容器密封，储存在阴凉，干燥的地方

• 稳定性:

  常温常压下稳定，避免氧化物 水分接触

• 计算化学:

  1.疏水参数计算参考值（XlogP）:0

  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:6

  8.表面电荷:1

  9.复杂度:46.8

  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

• 更多:

  1. 性状：无色流动性液体

  2. 密度（g/mL,24/4℃）：1.200

  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）：170-171℃

  6. 沸点（ºC, 1.07kPa）：56.5℃

  7. 折射率：1.4035

  8. 闪点（ºC）：29℃

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（kPa,25ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：溶于水和醇、醚等有机溶剂。

毒性和生态

毒理学数据: 1 、急性毒性：小鼠口经LD50：1831mg/kg；大鼠口经LD50：3040mg/kg 2、急性毒性：小鼠吸入LD50：>7100mg/kg/6H；大鼠吸入LD50：20mg/m3 生态学数据: 对水是稍微有害的，不要让未稀释或大量的产品接触地下水，水道或者污水系统，若无政府许可，勿将材料排入周围环境 CHEMICAL IDENTIFICATION RTECS NUMBER : SZ7710000 CHEMICAL NAME : Phosphonic acid, dimethyl ester CAS REGISTRY NUMBER : 868-85-9 LAST UPDATED : 199710 DATA ITEMS CITED : 30 MOLECULAR FORMULA : C2-H7-O3-P MOLECULAR WEIGHT : 110.06 WISWESSER LINE NOTATION : 1OPHO&O1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration into the eye SPECIES OBSERVED : Rodent - rabbit TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 3040 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LC50 - Lethal concentration, 50 percent kill ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - rat DOSE/DURATION : >20 gm/m3 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 : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 2970 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 : 1831 mg/kg TOXIC EFFECTS : Autonomic Nervous System - other (direct) parasympathomimetic Lungs, Thorax, or Respiration - respiratory stimulation Gastrointestinal - changes in structure or function of salivary glands TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 2610 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 : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 2400 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 - guinea pig DOSE/DURATION : 900 mg/kg TOXIC EFFECTS : Autonomic Nervous System - other (direct) parasympathomimetic Lungs, Thorax, or Respiration - respiratory stimulation Gastrointestinal - changes in structure or function of salivary glands TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 7500 mg/kg/15D-I TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Related to Chronic Data - death TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 26 gm/kg/13W-I TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - corneal damage Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 30 gm/kg/15D-I TOXIC EFFECTS : Related to Chronic Data - death TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 97500 mg/kg/13W-I TOXIC EFFECTS : Lungs, Thorax, or Respiration - chronic pulmonary edema Related to Chronic Data - death TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 103 gm/kg/2Y-I TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors Gastrointestinal - tumors TYPE OF TEST : Micronucleus test MUTATION DATA TYPE OF TEST : Sister chromatid exchange TEST SYSTEM : Rodent - hamster Ovary DOSE/DURATION : 250 mg/L REFERENCE : SCIEAS Science. (American Assoc. for the Advancement of Science, 1333 H St., NW, Washington, DC 20005) V.1- 1895- Volume(issue)/page/year: 236,933,1987 *** REVIEWS *** IARC Cancer Review:Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 48,85,1990 IARC Cancer Review:Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 48,85,1990 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-GERMANY;Carcinogen JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84136 No. of Facilities: 21 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 41 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84136 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 1822 (estimated) No. of Female Employees: 272 (estimated)

安全

• 符号: GHS07, GHS08
• 信号词: Warning
• 危害声明: H317-H341-H351-H412
• 警示性声明: P273-P280
• 个人防护装备: Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
• 危害码 (欧洲): Xn:Harmful
• 风险声明 (欧洲): R10;R21;R36
• 安全声明 (欧洲): S26-S36/37
• 危险品运输编码: UN 3278 6.1/PG 3
• WGK德国: 1
• RTECS号: SZ7710000
• 包装等级: III
• 危险类别: 3.2
• 海关编码: 2920901300

合成路线

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144659-36-9

制备

其制备方法是由甲醇与三氯化磷直接反应制得。3CH₃OH+PCl₃→(CH₃O)₂POH+2HCl+CH₃Cl
国内传统工艺是分锅滴加，间歇操作。由于该反应是剧烈的放热反应，反应速度快，瞬间完成，所以操作频繁，劳动强度大，且生产周期长，设备利用率低，生产能力受到限制。在此基础上通过工艺改造实现的连续化生产工艺，总收率达到80%以上(以三氯化磷计)，含量为95％以上。
连续化工艺中的关键是要使三氯化磷与甲醇充分接触，可应用喷射反应器来满足这一要求。连续化工艺合成脱酸所得的亚磷酸二甲酯粗品含量在70％、酸度在10％左右，需进一步用氨中和，在中和过程中需加入保护剂二氯乙烷。中和的副产物氯化铵可经过再处理作肥料用，二氯乙烷可用减压蒸馏的方式加以回收利用。由甲醇与三氯化磷反应而得。

海关

海关编码	2920909090
中文概述	2920909090 其他无机酸酯（不包括卤化氢的酯）（包括其盐及它们的卤化，磺化，硝化和亚硝化衍生物）。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2920909090 esters of other inorganic acids of non-metals (excluding esters of hydrogen halides) and their salts; their halogenated, sulphonated, nitrated or nitrosated derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%