3272-08-0

• 常用中文名：4-羟基-3-硝基苯甲腈
• 常用英文名：4-Hydroxy-3-nitrobenzonitrile
• CAS号：3272-08-0
• 分子式：C₇H₄N₂O₃
• 分子量：164.118
• 相关类别： 有机原料 烃类化合物及其衍生物 烃类硝化物
• 发布时间：2018-09-16 12:42:27
• 更新时间：2024-01-03 15:22:20
• 下载msds

名称

• 中文名: 4-羟基-3-硝基苯甲腈
• 英文名: 4-Hydroxy-3-nitrobenzonitrile
• 中文别名: 3-硝基-4-羟基苯甲腈; 4-羟基-3-硝基苯甲肼; 2-硝-4-氰基苯酚
• 英文别名: 4-Hydroxy-3-nitrobenzonitrile; MFCD00070775; 4-Hydroxy-3-nitro-benzonitrile; 4-hydroxy-3-nitrobenzenecarbonitrile; Benzonitrile, 4-hydroxy-3-nitro-; 4-hydroxy-3-mitrobenzonitrile; 2-Nitro-4-cyanophenol; 3-nitro-4-hydroxybenzonitrile; 4-Cyano-2-nitrophenol; EINECS 221-899-8

物化性质

• 密度: 1.5±0.1 g/cm3
• 沸点: 288.9±30.0 °C at 760 mmHg
• 熔点: 146-148 °C(lit.)
• 分子式: C₇H₄N₂O₃
• 分子量: 164.118
• 闪点: 128.5±24.6 °C
• 精确质量: 164.022186
• PSA: 89.84000
• LogP: 1.61
• 外观性状: 黄色固体粉末
• 蒸汽压: 0.0±0.6 mmHg at 25°C
• 折射率: 1.629
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。

• 稳定性: 避免与不相容材料，铁锈接触。 与强氧化剂，酸，醋酸酐，酸性氯化物，二氧化碳反应。
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  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:4

  6.拓扑分子极性表面积89.8

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:227

  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：黄色粉末

  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）：146-148

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,10mmHg）：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（mPa,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: 4-Hydroxy-3-nitrobenzonitrile 97% Material Safety Data Sheet Synonym: 4-Cyano-2-nitropheno CAS: 3272-08-0 Section 1 - Chemical Product MSDS Name:4-Hydroxy-3-nitrobenzonitrile 97% Material Safety Data Sheet Synonym:4-Cyano-2-nitropheno Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 3272-08-0 4-Hydroxy-3-nitrobenzonitrile 97% 221-899-8 Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. 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: Treat symptomatically and supportively. 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: In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant 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. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 3272-08-0: 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: Crystalline powder Color: yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 146 - 148 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: C7H4N2O3 Molecular Weight: 164.12 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, acids, acetic anhydride, acid chlorides, carbon dioxide. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 3272-08-0 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-Hydroxy-3-nitrobenzonitrile - 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 No information available. IMO No information available. RID/ADR No information available. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 3272-08-0: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 3272-08-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 3272-08-0 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H302-H312-H315-H319-H332-H335
• 警示性声明: P261-P280-P305 + P351 + P338
• 个人防护装备: dust mask type N95 (US);Eyeshields;Gloves
• 危害码 (欧洲): Xn:Harmful;
• 风险声明 (欧洲): R20/21/22;R36/37/38
• 安全声明 (欧洲): S26-S37/39-S36/37/39
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• 海关编码: 2926909090

合成路线

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%