609-40-5

• 常用中文名：2-硝基噻吩
• 常用英文名：2-Nitrothiophene
• CAS号：609-40-5
• 分子式：C₄H₃NO₂S
• 分子量：129.137
• 相关类别： 医药中间体 杂环化合物 噻吩类化合物
• 发布时间：2018-05-13 08:00:00
• 更新时间：2024-01-02 16:32:03

• 三、 用途：

  用于有机合成。

名称

• 中文名: 2-硝基噻吩
• 英文名: 2-Nitrothiophene
• 中文别名: 2-硝噻吩
• 英文别名: 2-Nitro thiophene; 2-Nitrithiophene; 2-Nitrothiophene; 5-nitrothiophene; 2-NO2thiophene; EINECS 210-190-9; Thiophene, 2-nitro-; 2-nitro-thiophene; 2-Nitro-thiophen; Thiophene,2-nitro; MFCD00005425

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 224.5±0.0 °C at 760 mmHg
• 熔点: 43-45 °C(lit.)
• 分子式: C₄H₃NO₂S
• 分子量: 129.137
• 闪点: 93.9±0.0 °C
• 精确质量: 128.988449
• PSA: 74.06000
• LogP: 1.65
• 外观性状: 淡黄色固体
• 蒸汽压: 0.1±0.4 mmHg at 25°C
• 折射率: 1.603
• 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。

• 稳定性:

  一、 基本性质：

  能随水蒸气挥发。

• 分子结构:

  五、分子性质数据：

  1、 摩尔折射率：31.18

  2、 摩尔体积（m³/mol）：90.7

  3、 等张比容（90.2K）：245.9

  4、 表面张力（dyne/cm）：53.9

  5、 极化率（10 ^-24cm ³）：12.36

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:3

  4.可旋转化学键数量:0

  5.互变异构体数量:无

  6.拓扑分子极性表面积74.1

  7.重原子数量:8

  8.表面电荷:0

  9.复杂度:101

  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. 性状：淡黄色结晶

  2. 密度（g/mL）：1.364

  3. 折射率（nD20）：

  4. 闪点（ºF）：201

  5. 熔点（℃）：41

  6. 沸点（ºC）：224-225

MSDS

Name: 2-Nitrothiophene tech. 85% Material Safety Data Sheet Synonym: None CAS: 609-40-5 Section 1 - Chemical Product MSDS Name:2-Nitrothiophene tech. 85% Material Safety Data Sheet Synonym:None Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 609-40-5 2-Nitrothiophene 85 210-190-9 Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Light sensitive.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. The toxicological properties of this substance have not been fully investigated. 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: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Runoff from fire control or dilution water may cause pollution. Extinguishing Media: Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Store protected from light. Storage: Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. Dark room. Store protected from light. 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# 609-40-5: 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 minimize contact with skin. 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: Crystals Color: yellow to beige-brown Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 224 - 225 deg C @ 760.00mmHg Freezing/Melting Point: 43.00 - 45.00 deg C Autoignition Temperature: Not applicable. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C4H3NO2S Molecular Weight: 129.13 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. May discolor on exposure to light. Conditions to Avoid: Incompatible materials, light, dust generation, excess heat, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents, strong bases. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 609-40-5: XN0030000 LD50/LC50: Not available. Carcinogenicity: 2-Nitrothiophene - 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# 609-40-5: No information available. Canada CAS# 609-40-5 is listed on Canada's NDSL List. CAS# 609-40-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 609-40-5 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 三、生态学数据： 1、其它有害作用：该物质对环境可能有危害，对水体应给予特别注意。 CHEMICAL IDENTIFICATION RTECS NUMBER : XN0030000 CHEMICAL NAME : Thiophene, 2-nitro- CAS REGISTRY NUMBER : 609-40-5 LAST UPDATED : 199701 DATA ITEMS CITED : 3 MOLECULAR FORMULA : C4-H3-N-O2-S MOLECULAR WEIGHT : 129.14 WISWESSER LINE NOTATION : T5SJ BNW HEALTH HAZARD DATA ACUTE TOXICITY DATA MUTATION DATA TYPE OF TEST : Mutation in microorganisms TEST SYSTEM : Bacteria - Klebsiella pneumoniae DOSE/DURATION : 20 umol/L REFERENCE : MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 118,153,1983

安全

• 危害码 (欧洲): Xn
• 风险声明 (欧洲): R68
• 安全声明 (欧洲): S24/25
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• RTECS号: XN0030000
• 海关编码: 2934999090

合成路线

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制备

二、 生产方法简述：

将噻吩溶于乙酐，将发烟硝酸溶于冰乙酸。两种溶液在10℃左右混合反应，硝化物倾入碎冰中析出2-硝基噻吩。收率约80%。

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%