5137-70-2

• 常用中文名：正十二烷基磷酸
• 常用英文名：dodecylphosphonic acid
• CAS号：5137-70-2
• 分子式：C₁₂H₂₇O₃P
• 分子量：250.31500
• 发布时间：2018-07-12 19:14:15
• 更新时间：2024-01-08 18:30:35
• 下载msds

名称

• 中文名: 正十二烷基磷酸
• 英文名: N-Dodecylphosphonic Acid
• 中文别名: 1-十二烷基膦酸
• 英文别名: EINECS 225-897-8; 1-Dodecylphosphonic acid; dodecylphosphonic acid; MFCD00015832; N-DODECYLPHOSPHONIC ACID

物化性质

• 密度: 1.018 g/cm3
• 沸点: 383.8ºC at 760 mmHg
• 熔点: 68-70ºC
• 分子式: C₁₂H₂₇O₃P
• 分子量: 250.31500
• 闪点: 185.9ºC
• 精确质量: 250.17000
• PSA: 67.34000
• LogP: 4.08500
• 外观性状: 固体;White to Almost white powder to crystal
• 折射率: 1.462
• 储存条件:

  避光，阴凉干燥处，密封保存

• 稳定性:

  常温常压下稳定

• 分子结构:

  1、 摩尔折射率：67.58

  2、 摩尔体积（m³/mol）：245.7

  3、 等张比容（90.2K）：615.1

  4、 表面张力（dyne/cm）：39.2

  5、 极化率（10 ^-24cm ³）：26.79

• 计算化学:

  1.疏水参数计算参考值（XlogP）:4

  2.氢键供体数量:2

  3.氢键受体数量:3

  4.可旋转化学键数量:11

  5.互变异构体数量:无

  6.拓扑分子极性表面积57.5

  7.重原子数量:16

  8.表面电荷:0

  9.复杂度:189

  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：白色晶体

  2. 密度：不确定

  3. 相对蒸汽密度（g/mL,空气=1）：不确定

  4. 熔点（ºC）：92-96

  5. 沸点（ºC,常压）：不确定

  6. 沸点（ºC,25mmHg）：不确定

  7. 折光率（nD20）：不确定

  8. 闪点（°C）：不确定

  9. 比旋光度（º, C=1, EtOH）：不确定

  10. 自燃点或引燃温度（ºC）：不确定

  11. 蒸气压（kPa,25ºC）：不确定

  12. 饱和蒸气压（kPa,60ºC）：不确定

  13. 燃烧热（KJ/mol）：不确定

  14. 临界温度（ºC）：不确定

  15. 临界压力（KPa）：不确定

  16. 油水（辛醇/水）分配系数的对数值：不确定

  17. 爆炸上限（%,V/V）：不确定

  18. 爆炸下限（%,V/V）：不确定

  19. 溶解性：不确定

MSDS

Section 1: Product Identification Chemical Name:n-Dodecylphosphonic acid, min. 97% CAS Registry Number:5137-70-2 Formula:CH3(CH2)11P(O)(OH)2 EINECS Number:225-897-8 Chemical Family:organic phosphonic acid Synonym:1-Dodecanephosphonic acid Section 2: Composition and Information on Ingredients IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL) Title compound5137-70-2100%no datano data Section 3: Hazards Identification Emergency Overview:Irritating to skin, eyes and respiratory tract. Primary Routes of Exposure:Inhalation, skin, eyes Eye Contact:Dust causes moderate to severe irritation of the eyes. Skin Contact:Causes irritation to the skin Inhalation:Causes irritation to the nose, mucous membranes and respiratory tract Ingestion:No information on the physiological effects of ingestion. May be harmful if swallowed. Acute Health Affects:Irritating to skin, eyes and respiratory tract. Chronic Health Affects:No information available on long-term chronic effects NTP:No IARC:No OSHA:No SECTION 4: First Aid Measures Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need Eye Exposure: assistance in keeping their eye lids open. Get immediate medical attention. Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if Skin Exposure: irritation persists. Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty Inhalation: in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance. Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce Ingestion: vomiting only if directed by medical personnel. SECTION 5: Fire Fighting Measures Flash Point:no data Autoignition Temperature:no data Explosion Limits:no data Extinguishing Medium:carbon dioxide, dry chemical or foam If this product is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure Special Fire Fighting Procedures: self-contained breathing apparatus and full protective clothing. Hazardous Combustion andIf involved in a fire, this material may emit irritating organic fumes Decomposion Products: Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards SECTION 6: Accidental Release Measures Small spills can be mixed with vermiculite, sodium carbonate or other suitable non-combustible adsorbent and Spill and Leak Procedures: swept up. SECTION 7: Handling and Storage Handling and Storage:Store in a tightly sealed container in a cool, dry place. SECTION 8: Exposure Controls and Personal Protection Eye Protection:Always wear approved safety glasses when handling a chemical substance in the laboratory. Skin Protection:Wear protective clothing and gloves. Consult with glove manufacturer to determine the proper type of glove. Ventilation:It is imperative that this material be handled in an efficient fume hood. If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator Respirator: Protection Program to be in compliance with 29 CFR 1910.134. Ventilation:It is imperative that this material be handled in an efficient fume hood. Additional Protection:No additional protection required. SECTION 9: Physical and Chemical Properties Color and Form:white to off-white powder Molecular Weight:250.31 Melting Point:96-98° Boiling Point:no data Vapor Pressure:no data Specific Gravity:no data Odor:not determined Solubility in Water:insoluble SECTION 10: Stability and Reactivity Stability:air and moisture stable Hazardous Polymerization:no hazardous polymerization Conditions to Avoid:none Incompatibility:oxidizing agents Decomposition Products:carbon dioxide, carbon monoxide and organic fumes SECTION 11: Toxicological Information RTECS Data:Intraperitoneal(mouse); LDLo: 500mg/kg. Carcinogenic Effects:no data Mutagenic Effects:no data Tetratogenic Effects:no data SECTION 12: Ecological Information Ecological Information:No information available SECTION 13: Disposal Considerations Disposal:Dispose of according to local, state and federal regulations SECTION 14: Transportation Shipping Name (CFR):Non-hazardous Hazard Class (CFR):NA Additional Hazard Class (CFR):NA Packaging Group (CFR):NA UN ID Number (CFR):NA Shipping Name (IATA):Non-hazardous Hazard Class (IATA):NA Additional Hazard Class (IATA):NA Packaging Group (IATA):NA UN ID Number (IATA):NA SECTION 15: Regulatory Information TSCA:Listed in the TSCA inventory SARA (Title 313):Title compound not listed Second Ingredient:none SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1 、急性毒性：小鼠腹腔LDLo：500 mg/kg 2、主要的刺激性影响 在皮肤上面：在皮肤和粘膜上造成腐蚀性影响,刺激皮肤和粘膜 在眼睛上面：强烈腐蚀性影响,刺激的影响 致敏作用：没有已知的敏化影响 生态学数据: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境 CHEMICAL IDENTIFICATION RTECS NUMBER : SZ7875000 CHEMICAL NAME : Phosphonic acid, dodecyl- CAS REGISTRY NUMBER : 5137-70-2 BEILSTEIN REFERENCE NO. : 1778341 LAST UPDATED : 199712 DATA ITEMS CITED : 4 MOLECULAR FORMULA : C12-H27-O3-P MOLECULAR WEIGHT : 250.36 WISWESSER LINE NOTATION : QPQO&12 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 500 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 9,132,1957

安全

• 危害码 (欧洲): C
• 危险品运输编码: UN3261
• 包装等级: III
• 危险类别: 8.0
• 海关编码: 2931900090

合成路线

16693-57-5 ~87% 5137-70-2

文献：Macromolecules, , vol. 38, # 6 p. 2230 - 2236

143-15-7 ~% 5137-70-2

文献：Journal of the American Chemical Society, , vol. 67, p. 1182 US2397422 , ;

5929-68-0 ~% 5137-70-2

文献：Journal of the American Chemical Society, , vol. 67, p. 1182 US2397422 , ;

112-41-4 ~% 5137-70-2

文献：Macromolecules, , vol. 38, # 6 p. 2230 - 2236

4844-38-6 ~% 5137-70-2

文献：Synthetic Communications, , vol. 33, # 12 p. 2151 - 2159

海关

海关编码	2931900090
中文概述	2931900090. 其他有机-无机化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:6.5%. 普通关税:30.0%
Summary	2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%