100859-84-5

• 常用中文名：2-氯吡啶-4-甲酰胺
• 常用英文名：2-Chloroisonicotinamide
• CAS号：100859-84-5
• 分子式：C₆H₅ClN₂O
• 分子量：156.570
• 相关类别： 医药中间体 杂环化合物 吡啶类化合物 氯吡啶
• 发布时间：2018-05-31 08:00:00
• 更新时间：2024-01-02 08:58:51
• 下载msds

名称

• 中文名: 2-氯吡啶-4-甲酰胺
• 英文名: 2-Chloroisonicotinamide
• 中文别名: 2-氯-4-甲酰胺吡啶; 2-氯异烟碱胺
• 英文别名: 2-chloropyridine-4-carboxamide; 4-Pyridinecarboxamide, 2-chloro-; MFCD00221401; 2-Chloroisonicotinamide

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 312.2±27.0 °C at 760 mmHg
• 熔点: 198 °C
• 分子式: C₆H₅ClN₂O
• 分子量: 156.570
• 闪点: 142.6±23.7 °C
• 精确质量: 156.009033
• PSA: 55.98000
• LogP: 0.56
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.589
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。远离氧化剂。

• 稳定性:

  常温常压下稳定，避免与强氧化剂接触。

• 分子结构:

  1、摩尔折射率：38.16

  2、摩尔体积（cm³/mol）：113.3

  3、等张比容（90.2K）：311.7

  4、表面张力（dyne/cm）：57.2

  5、介电常数：无可用的

  6、极化率（10^-24cm³）：15.13

  7、单一同位素质量：156.00904 Da

  8、标称质量：156 Da

  9、平均质量：156.5697 Da

• 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:2

  4.可旋转化学键数量:1

  5.互变异构体数量:2

  6.拓扑分子极性表面积56

  7.重原子数量:10

  8.表面电荷:0

  9.复杂度:140

  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：晶体

  2. 密度（g/mL,20℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：198

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC，12mmHg）：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（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: 2-Chloroisonicotinamide 97% Material Safety Data Sheet Synonym: 2-Chloropyridine-4-carboxamid CAS: 100859-84-5 Section 1 - Chemical Product MSDS Name:2-Chloroisonicotinamide 97% Material Safety Data Sheet Synonym:2-Chloropyridine-4-carboxamid Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 100859-84-5 2-Chloroisonicotinamide 97% unlisted 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: 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: 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# 100859-84-5: 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: Solid Color: off-white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 193 - 195 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: C6H5ClN2O Molecular Weight: 157 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents, bases, amines, reducing agents, acids. Hazardous Decomposition Products: Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 100859-84-5 unlisted. LD50/LC50: Not available. Carcinogenicity: 2-Chloroisonicotinamide - 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# 100859-84-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 100859-84-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 100859-84-5 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 对水稍微危害，避免未稀释或大量的产品接触地下水、水道或污水系统。 若无政府许可，勿将材料排入周围环境。

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H302-H317
• 警示性声明: P280
• 危害码 (欧洲): Xi:Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36/37/39
• 危险品运输编码: NONH for all modes of transport
• 海关编码: 2933399090

合成路线

33252-30-1 ~87% 100859-84-5

文献：Chen, Haonan; Dai, Wujie; Chen, Yi; Xu, Qing; Chen, Jianhui; Yu, Lei; Zhao, Yajuan; Ye, Mingde; Pan, Yuanjiang Green Chemistry, 2014 , vol. 16, # 4 p. 2136 - 2141

6313-54-8 ~% 100859-84-5

文献：WO2006/35967 A1, ; Page/Page column 90-91 ; WO 2006/035967 A1

65287-34-5 ~% 100859-84-5

文献：Journal of Organic Chemistry, , vol. 23, p. 64

海关

海关编码	2933399090
中文概述	2933399090. 其他结构含非稠合吡啶环的化合物. 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, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%