20651-67-6

• 常用中文名：1-正-丁基-4-碘苯
• 常用英文名：1-(4'-Iodophenyl)butane
• CAS号：20651-67-6
• 分子式：C₁₀H₁₃I
• 分子量：260.11500
• 发布时间：2018-07-01 11:26:11
• 更新时间：2024-01-09 15:39:17

名称

• 中文名: 1-正-丁基-4-碘苯
• 英文名: 1-butyl-4-iodobenzene
• 中文别名: 1-正丁基-4-碘苯
• 英文别名: 4-butyliodobenzene; 4-N-AMYLIODOBENZENE; 1-iodo-4-n-butylbenzene; 4-n-Butyliodobenzene; 1-Butyl-4-iodobenzene; P-BUTYLIODOBENZENE; 4-n-Bu-C6H4-I; MFCD00051927; 1-n-butyl-4-iodobenzene; 4-n-butyl-1-iodobenzene

物化性质

• 密度: 1.462
• 沸点: 80-82ºC 0,5mm
• 分子式: C₁₀H₁₃I
• 分子量: 260.11500
• 闪点: 80-82°C/0.5mm
• 精确质量: 260.00600
• LogP: 3.63380
• 外观性状: 透明黄色液体
• 蒸汽压: 0.0383mmHg at 25°C
• 折射率: 1.569
• 储存条件:

  保持贮藏器密封

  放入紧密的贮藏器内，储存在阴凉，干燥的地方

• 稳定性:

  如果遵照规格使用和储存则不会分解

  避免接触光，氧化物
• 计算化学:

  1.疏水参数计算参考值（XlogP）:4.5

  2.氢键供体数量:0

  3.氢键受体数量:0

  4.可旋转化学键数量:3

  5.互变异构体数量:无

  6.拓扑分子极性表面积0

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:93

  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,25/4℃）：1.462

  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）：80-82

  6.沸点（ºC,5.2kPa）：未确定

  7.折射率：1.5690

  8.闪点（ºC）：80-82

  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: 1-Butyl-4-iodobenzene Material Safety Data Sheet Synonym: CAS: 20651-67-6 Section 1 - Chemical Product MSDS Name:1-Butyl-4-iodobenzene Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 20651-67-6 1-butyl-4-iodobenzene 97 unlisted Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Potential Health Effects The toxicological properties of this material have not been investigated. Use appropriate procedures to prevent opportunities for direct contact with the skin or eyes and to prevent inhalation. Section 4 - FIRST AID MEASURES Eyes: Not available. Skin: Not available. Ingestion: Not available. Inhalation: Not available. Notes to Physician: Section 5 - FIRE FIGHTING MEASURES General Information: Not available. Extinguishing Media: Not available. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Not available. Section 7 - HANDLING and STORAGE Handling: Not available. Storage: Not available. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Exposure Limits CAS# 20651-67-6: Personal Protective Equipment Eyes: Not available. Skin: Not available. Clothing: Not available. Respirators: Not available. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Liquid Color: colorless - pale yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 85 - 87 deg C @0.05mmHg Freezing/Melting Point: Not available. 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: C11H12O Molecular Weight: 160 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Not available. Incompatibilities with Other Materials: Not available. Hazardous Decomposition Products: Not available. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 20651-67-6 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-butyl-4-iodobenzene - 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: Not available. Risk Phrases: Safety Phrases: WGK (Water Danger/Protection) CAS# 20651-67-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 20651-67-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 20651-67-6 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: 对水是稍微危害的，若无政府许可，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-S37/39
• 海关编码: 2903999090

合成路线

109-72-8 624-38-4 ~8% 1571-86-4 20651-67-6

文献：Organic Letters, , vol. 5, # 26 p. 4963 - 4966

104-13-2 ~64% 20651-67-6

文献：McAllister, Linda J.; Praesang, Carsten; Wong, Joanna P.-W.; Thatcher, Robert J.; Whitwood, Adrian C.; Donnio, Bertrand; O'Brien, Peter; Karadakov, Peter B.; Bruce, Duncan W. Chemical Communications, 2013 , vol. 49, # 38 p. 3946 - 3948

77153-60-7 ~67% 20651-67-6

文献：Patrick, Timothy B.; Juehne, Thomas; Reeb, Elmer; Hennessy, Daniel Tetrahedron Letters, 2001 , vol. 42, # 21 p. 3553 - 3554

104-51-8 ~% 20651-67-6

文献：Bulletin de la Societe Chimique de France, , vol. <4> 45, p. 648

104-51-8 7553-56-2 7782-68-5 64-19-7 ~% 详细

文献：Bulletin de la Societe Chimique de France, , vol. <4> 45, p. 647

上下游产品

上游产品  8
109-72-8 624-38-4 104-13-2 77153-60-7
104-51-8 7553-56-2 7782-68-5 64-19-7
下游产品  10
37909-95-8 104-51-8 15181-08-5 20651-71-2
202524-78-5 434-90-2 131894-75-2 7641-81-8
79887-09-5 80221-11-0

海关

海关编码	2903999090
中文概述	2903999090 其他芳烃卤化衍生物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%