16588-15-1

• 常用中文名：2-氯-5-硝基苯甲酰胺
• 常用英文名：Benzamide,2-chloro-5-nitro-
• CAS号：16588-15-1
• 分子式：C₇H₅ClN₂O₃
• 分子量：200.57900
• 发布时间：2018-02-15 08:00:00
• 更新时间：2024-01-15 03:02:11

名称

• 中文名: 2-氯-5-硝基苯甲酰胺
• 英文名: 2-chloro-5-nitrobenzamide
• 英文别名: 2-chloro-5-nitrobenzenecarboxamide; MFCD00088420; 2-chloranyl-5-nitro-benzamide; 2-chloro-5-nitro-benzoic acid amide; 2-chloro-5-nitro-benzamide; 2-Chlor-5-nitro-benzoesaeure-amid; Benzamide,2-chloro-5-nitro

物化性质

• 密度: 1.52 g/cm3
• 沸点: 299ºC at 760 mmHg
• 熔点: 178 °C
• 分子式: C₇H₅ClN₂O₃
• 分子量: 200.57900
• 闪点: 134.6ºC
• 精确质量: 199.99900
• PSA: 88.91000
• LogP: 2.57060
• 蒸汽压: 0.00122mmHg at 25°C
• 折射率: 1.624
• 储存条件:

  常温密闭避光，通风干燥

• 稳定性:

  常温常压下稳定

  避免的物料：氧化物

• 分子结构:

  1、 摩尔折射率：46.62

  2、 摩尔体积（m³/mol）：131.9

  3、 等张比容（90.2K）：373.0

  4、 表面张力（dyne/cm）：63.9

  5、 极化率（10^-24cm³）：18.48

• 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:3

  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88.9

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:228

  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：未确定

  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）： 178 °C 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：未确定

MSDS

Name: 2-Chloro-5-nitrobenzamide 97% Material Safety Data Sheet Synonym: CAS: 16588-15-1 Section 1 - Chemical Product MSDS Name:2-Chloro-5-nitrobenzamide 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 16588-15-1 2-Chloro-5-nitrobenzamide 97% unlisted Hazard Symbols: XN Risk Phrases: 22 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful if swallowed. 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: Harmful if swallowed. May cause irritation of the digestive tract. 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# 16588-15-1: 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: pale yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 183 - 185 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: C7H5ClN2O3 Molecular Weight: 201 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Acids, bases, oxidizing agents, reducing agents. Hazardous Decomposition Products: Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 16588-15-1 unlisted. LD50/LC50: Not available. Carcinogenicity: 2-Chloro-5-nitrobenzamide - 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: XN Risk Phrases: R 22 Harmful if swallowed. 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# 16588-15-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 16588-15-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 16588-15-1 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: 通常对水体是稍微有害的，不要将未稀释或大量产品接触地下水，水道或污水系统，未经政府许可勿将材料排入周围环境。

安全

• 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
• 海关编码: 2924299090

合成路线

2516-96-3 ~85% 16588-15-1

文献：US2014/57911 A1, ; Paragraph 0417; 0418 ;

79-37-8 2516-96-3 ~% 16588-15-1

文献：US5463122 A1, ;

16588-02-6 ~12% 16588-15-1

文献：Synthetic Communications, , vol. 20, # 4 p. 563 - 571

25784-91-2 ~% 16588-15-1

文献：Journal of the Indian Chemical Society, , vol. 10, p. 353,357

104599-67-9 ~60% 16588-15-1

文献：Liebigs Annalen der Chemie, , p. 29 - 37

95-51-2 ~% 16588-15-1

文献：Recueil des Travaux Chimiques des Pays-Bas, , vol. 19, p. 55

873-32-5 ~% 16588-15-1

文献：Recueil des Travaux Chimiques des Pays-Bas, , vol. 19, p. 55

118-91-2 ~% 16588-15-1

文献：Recueil des Travaux Chimiques des Pays-Bas, , vol. 19, p. 55

7697-37-2 609-66-5 ~% 16588-15-1

文献：Recueil des Travaux Chimiques des Pays-Bas, , vol. 19, p. 55

上下游产品

上游产品  10
2516-96-3 79-37-8 16588-02-6 25784-91-2
104599-67-9 95-51-2 873-32-5 118-91-2
7697-37-2 609-66-5
下游产品  8
96-97-9 6283-25-6 16588-02-6 171744-41-5
2516-96-3 25784-91-2 85469-93-8 59263-62-6

海关

海关编码	2924299090
中文概述	2924299090. 其他环酰胺（包括环氨基甲酸酯）（包括其衍生物以及他们的盐）. 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:30.0%
申报要素	品名, 成分含量, 用途, 包装
Summary	2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%