101-00-8

• 常用中文名：三异丙醇胺环硼酸酯(异构体混合物)
• 常用英文名：Triisopropanolamine cyclic borate
• CAS号：101-00-8
• 分子式：C₉H₁₈BNO₃
• 分子量：199.055
• 相关类别： 化学试剂 有机试剂 硼酸
• 发布时间：2018-03-15 08:00:00
• 更新时间：2024-01-16 22:58:26
• 【用途一】
  汽油腐蚀抑制剂，金属工作液，汽油脱水剂，聚硅氧烷弹性橡胶稳定剂，粘合剂，聚合物交联剂。

名称

• 中文名: 三异丙醇胺环硼酸酯
• 英文名: Triisopropanolamine cyclic borate
• 中文别名: 三异丙醇胺环硼酸盐
• 英文别名: 3,7,10-Trimethyl-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane; 3,7,10-trimethyl-4,6,11-trioxa-1-aza-5-borabicyclo[3.3.3]undecane; MFCD03791298; 2,8,9-Trioxa-5-aza-1-borabicyclo[3.3.3]undecane, 3,7,10-trimethyl-

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 196.2±39.0 °C at 760 mmHg
• 熔点: 150 °C
• 分子式: C₉H₁₈BNO₃
• 分子量: 199.055
• 闪点: 72.5±27.1 °C
• 精确质量: 199.137970
• PSA: 30.93000
• LogP: 0.45370
• 外观性状: 白色至黄褐色的固体
• 蒸汽压: 0.4±0.4 mmHg at 25°C
• 折射率: 1.463
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。

• 稳定性:

  与强氧化剂反应。

• 水溶解性: 可溶于：丙酮
• 分子结构:

  1、摩尔折射率：52.13

  2、摩尔体积（cm³/mol）：189.3

  3、等张比容（90.2K）：446.7

  4、表面张力（dyne/cm）：30.9

  5、介电常数：无可用的

  6、极化率（10^-24cm³）：20.66

  7、单一同位素质量：199.137974 Da

  8、标称质量：199 Da

  9、平均质量：199.0551 Da

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：

  2、 氢键供体数量：0

  3、 氢键受体数量：4

  4、 可旋转化学键数量：0

  5、 互变异构体数量：

  6、 拓扑分子极性表面积（TPSA）：30.9

  7、 重原子数量：14

  8、 表面电荷：0

  9、 复杂度：171

  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：3

  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：白色固体

  2. 密度（g/mL,25℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：150

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,50mmHg）：未确定

  7. 折射率(n20/D)：未确定

  8. 闪点（ºC）：未确定

  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（mmHg,40ºC）：未确定

  12. 饱和蒸气压（kPa,83ºC）：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：未确定

MSDS

Name: Triisopropanolamine borate 98+% Material Safety Data Sheet Synonym: CAS: 101-00-8 Section 1 - Chemical Product MSDS Name:Triisopropanolamine borate 98+% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 101-00-8 Triisopropanolamine borate, 98+% 98+% unlisted Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists. Ingestion: If victim is conscious and alert, give 2-4 cupfuls of milk or water. Get medical aid. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid if cough or other symptoms appear. Notes to Physician: Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Can burn in a fire, releasing toxic vapors. Extinguishing Media: Use water spray, dry chemical, or carbon dioxide. Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Exposure Limits CAS# 101-00-8: Personal Protective Equipment Eyes: Wear chemical splash goggles. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear a chemical apron. Respirators: A NIOSH/MSHA approved air purifying dust or mist respirator or European Standard EN 149. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 150 - 152 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C9H19NO3.H3BO3 Molecular Weight: 251.08 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Not available. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide, oxides of boron. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 101-00-8: ED5787000 LD50/LC50: CAS# 101-00-8: Draize test, rabbit, eye: 10 mg Mild; Oral, mouse: LD50 = 7200 mg/kg. Carcinogenicity: Triisopropanolamine borate, 98+% - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 101-00-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 101-00-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 101-00-8 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1、皮肤/眼睛刺激性 标准的Draize试验：兔子，眼睛接触：10mg；反应的严重程度：轻度。 2、急性毒性：小鼠经口LD50：7200mg/kg； CHEMICAL IDENTIFICATION RTECS NUMBER : ED5787000 CHEMICAL NAME : Boric acid, tris(1-amino-2-propyl) ester CAS REGISTRY NUMBER : 101-00-8 LAST UPDATED : 199709 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C9-H18-B-N-O3 MOLECULAR WEIGHT : 199.09 WISWESSER LINE NOTATION : Z1Y1&OBOY1Z1&OY1Z1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration into the eye SPECIES OBSERVED : Rodent - rabbit REFERENCE : 14KTAK "Boron, Metallo-Boron Compounds and Boranes," Adams, R.M., ed., New York, John Wiley & Sons, Inc., 1964 Volume(issue)/page/year: -,693,1964 ** ACUTE TOXICITY DATA ** TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 7200 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 14KTAK "Boron, Metallo-Boron Compounds and Boranes," Adams, R.M., ed., New York, John Wiley & Sons, Inc., 1964 Volume(issue)/page/year: -,693,1964

安全

• 危害码 (欧洲): Xi
• 安全声明 (欧洲): 24/25
• 海关编码: 2934999090

合成路线

122-20-3 ~% 101-00-8

文献：Industrial and Engineering Chemistry, , vol. 49, p. 174,175

122-20-3 11113-50-1 ~% 101-00-8

文献：Bulletin de la Societe Chimique de France, , vol. II, p. 153 - 158

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海关

海关编码	2934999090
中文概述	2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%