68429-53-8

• 常用中文名：2,4-二甲氧基苯乙腈
• 常用英文名：2,4-Dimethylphenylacetonitrile
• CAS号：68429-53-8
• 分子式：C₁₀H₁₁N
• 分子量：145.20100
• 发布时间：2018-08-24 16:40:48
• 更新时间：2024-01-03 18:24:31

名称

• 中文名: 2,4-二甲基苄腈
• 英文名: 2,4-Dimethylphenylacetonitrile
• 中文别名: 2,4-二甲基 苄基 氰化物
• 英文别名: 2-(2,4-dimethylphenyl)acetonitrile

物化性质

• 密度: 0.979g/cm3
• 沸点: 258.5ºC at 760mmHg
• 分子式: C₁₀H₁₁N
• 分子量: 145.20100
• 闪点: 120.7ºC
• 精确质量: 145.08900
• PSA: 23.79000
• LogP: 2.36948
• 折射率: 1.524
• 储存条件: 2-8°C
• 分子结构:

  1、 摩尔折射率：45.36

  2、 摩尔体积（m³/mol）：148.1

  3、 等张比容（90.2K）：367.4

  4、 表面张力（dyne/cm）：37.8

  5、 极化率（10^-24cm³）：17.98

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.3

  2.氢键供体数量:0

  3.氢键受体数量:1

  4.可旋转化学键数量:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积23.8

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:165

  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：。

  2. 密度（g/mL,25/4℃）：未确定

  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,5.2kPa）：未确定

  7. 折射率：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（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：。

MSDS

Name: 2 4-Dimethylbenzyl cyanide Material Safety Data Sheet Synonym: 2,4-Dimethylphenylacetonitril CAS: 68429-53-8 Section 1 - Chemical Product MSDS Name:2 4-Dimethylbenzyl cyanide Material Safety Data Sheet Synonym:2,4-Dimethylphenylacetonitril Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 68429-53-8 2,4-Dimethylbenzyl cyanide unlisted Hazard Symbols: XN Risk Phrases: 20/21/22 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful by inhalation, in contact with skin and if swallowed. Potential Health Effects Eye: May cause eye irritation. Lachrymator (substance which increases the flow of tears). Skin: May cause skin irritation. Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Harmful if inhaled. 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: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: 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. 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. Extinguishing Media: 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: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable 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: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 68429-53-8: Personal Protective Equipment Eyes: Not available. 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: Not available. Color: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. 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: C10H11N Molecular Weight: 145.2 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Not available. Incompatibilities with Other Materials: Not available. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 68429-53-8 unlisted. LD50/LC50: Not available. Carcinogenicity: 2,4-Dimethylbenzyl cyanide - Not listed by ACGIH, IARC, or NTP. 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 Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.* Hazard Class: 6.1 UN Number: 2810 Packing Group: III IMO Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2810 Packing Group: III RID/ADR Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2810 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. Safety Phrases: S 36/37 Wear suitable protective clothing and gloves. WGK (Water Danger/Protection) CAS# 68429-53-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 68429-53-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 68429-53-8 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): R20/21/22
• 安全声明 (欧洲): S23-S26-S36-S37-S39
• 危险品运输编码: UN 3276
• 海关编码: 2926909090

上下游产品

上游产品  7
18293-53-3 583-70-0 78831-87-5 151-50-8
143-33-9 824-55-5 108-38-3
下游产品  3
76935-60-9 6331-04-0 6597-59-7

海关

海关编码	2926909090
中文概述	2926909090 其他腈基化合物. 增值税率:17.0% 退税率:9.0% 监管条件:无 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	HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%