543-21-5

• 常用中文名：叶枯炔
• 常用英文名：NSC-65381
• CAS号：543-21-5
• 分子式：C₄H₄N₂O₂
• 分子量：112.08700
• 相关类别： 化学试剂 有机试剂 酰胺
• 发布时间：2018-10-03 21:43:35
• 更新时间：2024-01-11 10:03:40
• Cellocidin is a potent growth inhibitor for gammaherpesvirus-associated B-lymphomas that acts through activation of both the NF-κB and c-Myc-mediated signaling pathways.

名称

• 中文名: 叶枯炔
• 英文名: cellocidin
• 中文别名: 乙炔二羰酰胺; 乙炔二羧酰胺
• 英文别名: Cellocidin; 2-butynediamide; Lenamycin; Acetylene dicarboxamide; acetylene dicarboxylic diamide; but-2-ynediamide; Renamycin; acetylene dicarboxylic acid diamide; acetylenedicarboxamide; EINECS 200-816-9; Aquamycin; Acetylenedicarbonitrile

物化性质

• 密度: 1.41g/cm3
• 沸点: 294ºC at 760 mmHg
• 熔点: 179ºC
• 分子式: C₄H₄N₂O₂
• 分子量: 112.08700
• 闪点: 131.6ºC
• 精确质量: 112.02700
• PSA: 86.18000
• 外观性状: Fine Crystalline Powder | Cream to beige
• 蒸汽压: 0.00167mmHg at 25°C
• 折射率: 1.56
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。

• 稳定性: 常温常压下稳定，避免与不相容材料接触。 与强氧化剂反应。
• 计算化学:

  1.疏水参数计算参考值（XlogP）:-1.2

  2.氢键供体数量:2

  3.氢键受体数量:2

  4.可旋转化学键数量:0

  5.互变异构体数量:3

  6.拓扑分子极性表面积86.2

  7.重原子数量:8

  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：米色结晶状粉末

  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）：179

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,11mmHg）：未确定

  7. 折射率(n20/D)：未确定

  8. 闪点（ºC）：216

  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,25 ºC）：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：难溶于水

MSDS

Name: Acetylenedicarboxamide (pract) Material Safety Data Sheet Synonym: 2-Butynediamide; Cellocidin CAS: 543-21-5 Section 1 - Chemical Product MSDS Name:Acetylenedicarboxamide (pract) Material Safety Data Sheet Synonym:2-Butynediamide; Cellocidin Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 543-21-5 Acetylenedicarboxamide, pract. >98 % unlisted Hazard Symbols: T Risk Phrases: 21 25 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful in contact with skin. Toxic if swallowed.Toxic. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. Harmful if absorbed through the skin. Ingestion: May be fatal if swallowed. Harmful if swallowed. Causes gastrointestinal irritation with nausea, vomiting and diarrhea. Inhalation: Causes respiratory tract irritation. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Skin: Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately. SPEED IS ESSENTIAL. A DOCTOR MUST BE NOTIFIED AT ONCE. Inhalation: Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. 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. 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: Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Wash hands before eating. Remove contaminated clothing and wash before reuse. Use only in a well-ventilated area. Do not get on skin or in eyes. Do not ingest or inhale. Storage: Store in a cool, dry place. Keep container closed when not in use. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels. Exposure Limits CAS# 543-21-5: 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 and clothing 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: Not available. Odor: none reported pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 179 deg C Autoignition Temperature: Not available. Flash Point: 216 deg C ( 420.80 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: 216 deg C Solubility in water: slightly soluble Specific Gravity/Density: Molecular Formula: C4H4N2O2 Molecular Weight: 112.09 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Irritating and toxic fumes and gases. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 543-21-5: AO9900000 LD50/LC50: CAS# 543-21-5: Oral, mouse: LD50 = 89200 ug/kg. Carcinogenicity: Acetylenedicarboxamide, pract. - 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: T Risk Phrases: R 21 Harmful in contact with skin. R 25 Toxic if swallowed. Safety Phrases: S 28A After contact with skin, wash immediately with plenty of water. S 36/37 Wear suitable protective clothing and gloves. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 543-21-5: No information available. Canada CAS# 543-21-5 is listed on Canada's NDSL List. CAS# 543-21-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 543-21-5 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1、急性毒性：小鼠经口LD50：89200μg/kg；小鼠经皮肤接触LD50：667mg/kg；小鼠经静脉LD50：11mg/kg； CHEMICAL IDENTIFICATION RTECS NUMBER : AO9900000 CHEMICAL NAME : Acetylenedicarboxamide CAS REGISTRY NUMBER : 543-21-5 BEILSTEIN REFERENCE NO. : 1756134 LAST UPDATED : 199701 DATA ITEMS CITED : 5 MOLECULAR FORMULA : C4-H4-N2-O2 MOLECULAR WEIGHT : 112.10 WISWESSER LINE NOTATION : ZV1UU1VZ HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 89200 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JPIFAN Japan Pesticide Information. (Japan Plant Protection Assoc., 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) No.1-61, 1969-92. For publisher information, see AGJAEP. Volume(issue)/page/year: (1),15,1969 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 667 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JPIFAN Japan Pesticide Information. (Japan Plant Protection Assoc., 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) No.1-61, 1969-92. For publisher information, see AGJAEP. Volume(issue)/page/year: (1),15,1969 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 11 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JAJAAA Journal of Antibiotics, Series A. (Tokyo, Japan) V.6-20, 1953-67. For publisher information, see JANTAJ. Volume(issue)/page/year: 11,81,1958

安全

• 危害码 (欧洲): T
• 风险声明 (欧洲): 25-21
• 安全声明 (欧洲): 45-36/37-28A
• 海关编码: 2924199090

合成路线

762-42-5 ~94% 543-21-5

文献：Winther, F.; Ketelsen, M.; Guarnieri, A. Journal of Molecular Structure, 1994 , vol. 320, p. 65 - 74

363-59-7 ~% 543-21-5

文献：Journal of Organic Chemistry, , vol. 10, p. 392

上下游产品

上游产品  1
762-42-5
下游产品  2
1071-98-3 1070-71-9

海关

海关编码	2924199090
中文概述	2924199090. 其他无环酰胺（包括无环氨基甲酸酯)(包括其衍生物及盐）. 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	2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%