5447-99-4

• 常用中文名：3-硝基二戊醇
• 常用英文名：2-Pentanol, 3-nitro-
• CAS号：5447-99-4
• 分子式：C₅H₁₁NO₃
• 分子量：133.14600
• 发布时间：2018-07-21 10:27:10
• 更新时间：2024-01-08 07:22:05

名称

• 中文名: 3-硝基二戊醇
• 英文名: 3-nitropentan-2-ol
• 中文别名: 3-硝基-2-戊醇
• 英文别名: 3-nitro-pentan-2-ol; 2-Hydroxy-3-nitro-pentan; Methyl-(1-nitro-propyl)-carbinol; 2-Pentanol,3-nitro; 2-Hydroxy-3-Nitropentane; 3-Nitro-pentanol-(2); 3-Nitro-2-pentanol; EINECS 226-669-0; MFCD00007399

物化性质

• 密度: 1.09g/cm3
• 沸点: 215.8ºC at 760mmHg
• 分子式: C₅H₁₁NO₃
• 分子量: 133.14600
• 闪点: 90.6ºC
• 精确质量: 133.07400
• PSA: 66.05000
• LogP: 0.94570
• 折射率: n20/D 1.443(lit.)
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。远离火源。

• 稳定性: 常温常压下稳定。 与强氧化剂，强碱反应。
• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.7

  2.氢键供体数量:1

  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:2

  6.拓扑分子极性表面积66

  7.重原子数量:9

  8.表面电荷:0

  9.复杂度:98.9

  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:2

  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：黄色透明液体

  2. 密度（g/mL,25℃）：1.075

  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）：未确定

  6. 沸点（ºC,0.5mmHg）：60

  7. 折射率(n20/D)：1.443

  8. 闪点（ºC）：90

  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,20ºC）：未确定

  12. 饱和蒸气压（kPa,25ºC）：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: 3-Nitro-2-pentanol 99% Material Safety Data Sheet Synonym: None CAS: 5447-99-4 Section 1 - Chemical Product MSDS Name:3-Nitro-2-pentanol 99% Material Safety Data Sheet Synonym:None Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 5447-99-4 3-Nitro-2-pentanol 99.0 226-669-0 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.Combustible liquid. Potential Health Effects Eye: Non-irritating to the eyes. Skin: Non-irritating to the skin. Ingestion: Low hazard for usual industrial handling. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. Chronic: No information found. 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. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Wash mouth out with water. 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: Antidote: None reported. 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. Will burn if involved in a fire. Use water spray to keep fire-exposed containers cool. Combustible liquid. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated. Extinguishing Media: In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use water spray to cool fire-exposed containers. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Remove all sources of ignition. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use only in a well-ventilated area. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. Storage: Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. 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. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 5447-99-4: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Liquid Color: colorless to light yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 60 deg C @ .50mm Hg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: 90 deg C ( 194.00 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: 1.0750g/cm3 Molecular Formula: C5H11NO3 Molecular Weight: 133.15 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, ignition sources, excess heat. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 5447-99-4 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-Nitro-2-pentanol - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Other No information available. 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# 5447-99-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 5447-99-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 5447-99-4 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 安全声明 (欧洲): S24/25
• 海关编码: 2905590090

上下游产品

上游产品  3
123-38-6 108-03-2 75-07-0
下游产品  5
75-07-0 108-03-2 50411-28-4 551-88-2
51089-83-9

海关

海关编码	2905590090
中文概述	2905590090 其他无环醇的卤化、磺化等衍生物。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%
申报要素	品名, 成分含量, 用途, 包装
Summary	2905590090 other halogenated, sulphonated, nitrated or nitrosated derivatives of acyclic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%