597-09-1
597-09-1结构式
- 常用中文名：2-乙基-2-硝基-1,3-丙二醇
- 常用英文名：1,3-Propanediol,2-ethyl-2-nitro-
- CAS号：597-09-1
- 分子式：C5H11NO4
- 分子量：149.14500
- 发布时间：2018-12-27 19:40:37
- 更新时间：2024-01-12 07:50:04
| 中文名 | 2-乙基-2-硝基-1,3-丙二醇 |
|---|---|
| 英文名 | 2-ethyl-2-nitropropane-1,3-diol |
| 中文别名 | 2-乙基-2-硝基-1,3-丙烷二醇 |
| 英文别名 |
1,3-Propanediol,2-ethyl-2-nitro
2-ETHYL-2-NITRO-1,3-PROPANEDIOL 2-Nitro-2-ethyl-1,3-propanediol 2-Aethyl-2-nitro-propan-1,3-diol EINECS 209-893-3 2-ethyl-2-nitro-propane-1,3-diol 2-Ethyl-2-nitropropanediol |
| 密度 | 1.254 g/cm3 |
|---|---|
| 沸点 | 321.9ºC at 760 mmHg |
| 熔点 | 55-56ºC |
| 分子式 | C5H11NO4 |
| 分子量 | 149.14500 |
| 闪点 | 148.2ºC |
| 精确质量 | 149.06900 |
| PSA | 86.28000 |
| 折射率 | 1.488 |
| 储存条件 | 贮存： 将密器密封，储存密封的主藏器内，并放在阴凉， 干爽的位置。 |
| 分子结构 | 五、分子性质数据： 1、 摩尔折射率：34.27 2、 摩尔体积（m3/mol）：118.9 3、 等张比容（90.2K）：318.1 4、 表面张力（dyne/cm）：51.2 5、 极化率（10 -24cm 3）：13.58 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:-0.6 2.氢键供体数量:2 3.氢键受体数量:4 4.可旋转化学键数量:3 5.互变异构体数量:无 6.拓扑分子极性表面积86.3 7.重原子数量:10 8.表面电荷:0 9.复杂度:115 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 | 物性数据： 1. 熔点（ ℃ ）： 55-56 |
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Version 1.1
Regulation (EC) No 1907/2006 1 - Product and Company Information Product Name2-ETHYL-2-NITRO-1,3-PROPANEDIO - 50 MG L 2 - Hazards Identification SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT Harmful if swallowed. May cause sensitization by skin contact.
3 - Composition/Information on Ingredients Product NameCAS #EC noAnnex I Index Number 2-ETHYL-2-NITRO-1,3-PROPANEDIOL 597-09-1 209-893-3 None FormulaC5H11NO4 Molecular Weight 149,1500 AMU SynonymsAI3-02257 * 2-Ethyl-2-nitro-1,3-propanediol 4 - First Aid Measures AFTER INHALATION If inhaled, remove to fresh air. If breathing becomes difficult, call a physician. AFTER SKIN CONTACT In case of skin contact, flush with copious amounts of water for at least 15 minutes. Remove contaminated clothing and shoes. Call a physician. AFTER EYE CONTACT In case of contact with eyes, flush with copious amounts of water for at least 15 minutes. Assure adequate flushing by separating the eyelids with fingers. Call a physician. AFTER INGESTION If swallowed, wash out mouth with water provided person is conscious. Call a physician. 5 - Fire Fighting Measures ALDRICHwww.molbase.com EXTINGUISHING MEDIA Suitable: Water spray. Carbon dioxide, dry chemical powder, or appropriate foam. SPECIAL RISKS Specific Hazard(s): Emits toxic fumes under fire conditions. SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS Wear self-contained breathing apparatus and protective clothing to prevent contact with skin and eyes. 6 - Accidental Release Measures PROCEDURE(S) OF PERSONAL PRECAUTION(S) Wear respirator, chemical safety goggles, rubber boots, and heavy rubber gloves. METHODS FOR CLEANING UP Absorb on sand or vermiculite and place in closed containers for disposal. Ventilate area and wash spill site after material pickup is complete. 7 - Handling and Storage HANDLING Directions for Safe Handling: Avoid contact with eyes, skin, and clothing. Do not breathe vapor. Avoid prolonged or repeated exposure. STORAGE Conditions of Storage: Keep tightly closed. 8 - Exposure Controls / Personal Protection ENGINEERING CONTROLS Mechanical exhaust required. GENERAL HYGIENE MEASURES Wash thoroughly after handling. Wash contaminated clothing before reuse. PERSONAL PROTECTIVE EQUIPMENT Respiratory Protection: Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Special Protective Measures: Wear appropriate government approved respirator, chemical-resistant gloves, safety goggles, other protective clothing. 9 - Physical and Chemical Properties AppearancePhysical State: Liquid PropertyValueAt Temperature or Pressure ALDRICHwww.molbase.com pH N/A BP/BP RangeN/A MP/MP RangeN/A Flash PointN/A FlammabilityN/A Autoignition TempN/A Oxidizing Properties N/A Explosive Properties N/A Explosion LimitsN/A Vapor PressureN/A Partition Coefficient Log Kow: - 1,672. ViscosityN/A Vapor DensityN/A Saturated Vapor Conc. N/A Evaporation RateN/A Bulk DensityN/A Decomposition Temp.N/A Solvent ContentN/A Water ContentN/A Surface TensionN/A ConductivityN/A Miscellaneous DataN/A SolubilityN/A 10 - Stability and Reactivity STABILITY Stable: Stable. Materials to Avoid: Oxidizing agents. HAZARDOUS DECOMPOSITION PRODUCTS Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide, Nitrogen oxides. HAZARDOUS POLYMERIZATION Hazardous Polymerization: Will not occur 11 - Toxicological Information RTECS NUMBER: TY6736000 SENSITIZATION Sensitization: Sensitizer. Skin: May cause allergic skin reaction. The preceding data, or interpretation of data, was determined using Quantitative Structure Activity Relationship (QSAR) modeling. SIGNS AND SYMPTOMS OF EXPOSURE To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly investigated. ROUTE OF EXPOSURE Skin Contact: May cause skin irritation. Skin Absorption: May be harmful if absorbed through the skin. Eye Contact: May cause eye irritation. Inhalation: May be harmful if inhaled. Material may be irritating to mucous membranes and upper respiratory tract. Ingestion: Harmful if swallowed. 12 - Ecological Information ALDRICHwww.molbase.com No data available. 13 - Disposal Considerations SUBSTANCE DISPOSAL Contact a licensed professional waste disposal service to dispose of this material. Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. Observe all federal, state, and local environmental regulations. 14 - Transport Information RID/ADR Non-hazardous for road transport. IMDG Non-hazardous for sea transport. IATA Non-hazardous for air transport. 15 - Regulatory Information CLASSIFICATION AND LABELING ACCORDING TO EU DIRECTIVES INDICATION OF DANGER: Xn Harmful. R-PHRASES: 22-43 Harmful if swallowed. May cause sensitization by skin contact. S-PHRASES: 36/37 Wear suitable protective clothing and gloves. 16 - Other Information WARRANTY The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. Inc., shall not be held liable for any damage resulting from handling or from contact with the above product. See reverse side of invoice or packing slip for additional terms and conditions of sale. Copyright 2010 Co. License granted to make unlimitedpaper copies for internal use only. DISCLAIMER For R&D use only. Not for drug, household or other uses. ALDRICHwww.molbase.com SECTION 16 - ADDITIONAL INFORMATION N/A |
CHEMICAL IDENTIFICATION
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| 文献：Vanderbilt; Hass Industrial and Engineering Chemistry, 1940 , vol. 32, p. 35 Full Text Show Details Purdue Research Found. Patent: US2139120 , 1937 ; Full Text Show Details Purdue Research Found. Patent: US2132330 , 1937 ; Full Text Show Details Purdue Research Found. Patent: US2135444 , 1937 ; |
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| 文献：Moore, David W. Patent: US2011/224460 A1, 2011 ; Location in patent: Page/Page column 3-4; 5 ; |
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| 文献：Pauwels Chem. Zentralbl., 1898 , vol. 69, # I p. 193 |
