2179-79-5

• 常用中文名：硒氰酸苯酯
• 常用英文名：phenylselenocyanate
• CAS号：2179-79-5
• 分子式：C₇H₅NSe
• 分子量：182.08100
• 相关类别： 化学试剂 有机试剂 硒化合物
• 发布时间：2018-09-21 18:43:50
• 更新时间：2024-01-08 11:43:30

名称

• 中文名: 硒氰酸苯酯
• 英文名: phenyl selenocyanate
• 英文别名: phenylselenocyanide; (phenylselanyl)formonitrile; MFCD00216944; benzeneselenocyanate; Selenocyansaeure-phenylester; Phenylselenocyanate; selenocyanic acid phenyl ester

物化性质

• 密度: 1.484
• 沸点: 244.4ºC at 760mmHg
• 分子式: C₇H₅NSe
• 分子量: 182.08100
• 闪点: 101.6ºC
• 精确质量: 182.95900
• PSA: 23.79000
• LogP: 0.49718
• 蒸汽压: 0.0304mmHg at 25°C
• 折射率: n20/D 1.603(lit.)
• 储存条件:

  储存的地方必须远离氧化剂，保持容器密封，放入紧密的出藏器内，储存在阴凉，干燥的地方

• 稳定性:

  避免氧化物接触，危险分解产品为一氧化碳和二氧化碳 ，氧化氮，硒化氢。氰化氢，有毒的金属氧化物

• 水溶解性: Miscible with organic solvents, terahydro furan, dichloromethane and acetonitrile.
• 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:1

  4.可旋转化学键数量:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积23.8

  7.重原子数量:9

  8.表面电荷:0

  9.复杂度:118

  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：液体

  2. 密度（g/ml,20ºC）：1.484

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,12mmHg）：116-117

  7. 折射率（nD20）：1.603

  8. 闪点（ºF）：>230

  9. 比旋光度（）：未确定

  10. 自燃点或引燃温度（ºC）：>110

  11. 蒸气压（kPa,100ºC）：未确定

  12. 饱和蒸气压（kPa,20ºC）：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: Phenylselenocyanate tech. 90+% (gc) Material Safety Data Sheet Synonym: None CAS: 2179-79-5 Section 1 - Chemical Product MSDS Name:Phenylselenocyanate tech. 90+% (gc) Material Safety Data Sheet Synonym:None Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 2179-79-5 PHENYLSELENOCYANATE 90.0+ unlisted Hazard Symbols: T Risk Phrases: 23/25 33 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Toxic by inhalation and if swallowed. Danger of cumulative effects.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: Poison by ingestion. The toxicological properties of this substance have not been fully investigated. Inhalation: The toxicological properties of this substance have not been fully investigated. Toxic if inhaled. 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 immediately. 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: 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. Wash mouth out with water. 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: Antidote: None reported. 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 carbon dioxide or dry chemical. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Use only in a chemical fume hood. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 2179-79-5: 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 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: Liquid Color: clear orange Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 116 - 117 deg C @ 12.00mbar Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: > 230 deg F (> 110.00 deg C) Explosion Limits, lower: N/A Explosion Limits, upper: N/A Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C7H5NSe Molecular Weight: 182.08 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stability unknown. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide, selenium/selenium oxides. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 2179-79-5 unlisted. LD50/LC50: Not available. Carcinogenicity: PHENYLSELENOCYANATE - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Other No information available. Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.* Hazard Class: 6.1 UN Number: 2810 Packing Group: II IMO Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2810 Packing Group: II RID/ADR Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2810 Packing group: II Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: T Risk Phrases: R 23/25 Toxic by inhalation and if swallowed. R 33 Danger of cumulative effects. Safety Phrases: S 20/21 When using do not eat, drink or smoke. S 28A After contact with skin, wash immediately with plenty of water. 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# 2179-79-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 2179-79-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 2179-79-5 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: 对水是危害的，即使是小量的产品渗入地下也会对饮用水造成危险若无政府许可，勿将材料排入周围环境

安全

• 危害码 (欧洲): T: Toxic;N: Dangerous for the environment;
• 风险声明 (欧洲): R23/25
• 安全声明 (欧洲): 20/21-28-45-60-61
• 危险品运输编码: UN 3440 6.1/PG 2
• WGK德国: 3
• 包装等级: II
• 危险类别: 6.1
• 海关编码: 2929909090

海关

海关编码	2929909090
中文概述	2929909090 其他含氮基化合物. 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	2929909090 other compounds with other nitrogen function VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%