1656-94-6

• 常用中文名：双(3-吡啶基甲基)胺
• 常用英文名：3,3'-dipicolylamine
• CAS号：1656-94-6
• 分子式：C₁₂H₁₃N₃
• 分子量：199.25200
• 相关类别： 医药中间体 杂环化合物 吡啶类化合物 甲基吡啶
• 发布时间：2018-05-17 08:00:00
• 更新时间：2024-01-09 11:34:01

名称

• 中文名: 3,3'-二甲基吡啶胺
• 英文名: 1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine
• 中文别名: 3,3'-双(吡啶甲基)胺; 双(3-吡啶基甲基)胺; 3,3’-二甲基吡啶胺; α,α'-亚胺二(3-甲基吡啶)
• 英文别名: Bis(3-pyridylmethyl)amine; 3,3'-Dipicolylamine; α,α'-Iminodi(3-picoline); EINECS 216-753-5; Bis-pyridin-3-ylmethyl-amine

物化性质

• 密度: 1.118g/cm3
• 沸点: 356.2ºC at 760mmHg
• 分子式: C₁₂H₁₃N₃
• 分子量: 199.25200
• 闪点: 169.2ºC
• 精确质量: 199.11100
• PSA: 37.81000
• LogP: 2.15730
• 蒸汽压: 2.98E-05mmHg at 25°C
• 折射率: 1.589
• 储存条件: 室温，存于惰性气体中
• 分子结构:

  五、分子性质数据：

  1、 摩尔折射率：60.06

  2、 摩尔体积（m³/mol）：178.2

  3、 等张比容（90.2K）：472.2

  4、 表面张力（dyne/cm）：49.3

  5、 极化率（10^-24cm³）：23.81

• 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:4

  5.互变异构体数量:无

  6.拓扑分子极性表面积37.8

  7.重原子数量:15

  8.表面电荷:0

  9.复杂度:154

  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℃）： 1.12

  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,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

Revision number: 5 Bis(3-pyridylmethyl)amine SAFETY DATA SHEET Section1. IDENTIFICATION Bis(3-pyridylmethyl)amine Product name: 5 Revision number: Section2. HAZARDS IDENTIFICATION GHS classification Not classified PHYSICAL HAZARDS HEALTH HAZARDS Category 2 Skin corrosion/irritation Category 2A Serious eye damage/eye irritation Not classified ENVIRONMENTAL HAZARDS GHS label elements, including precautionary statements Pictograms or hazard symbols Warning Signal word Causes skin irritation Hazard statements Causes serious eye irritation Precautionary statements: Wash hands thoroughly after handling. [Prevention] Wear protective gloves/eye protection/face protection. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, [Response] if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. IF ON SKIN: Gently wash with plenty of soap and water. If skin irritation occurs: Get medical advice/attention. Take off contaminated clothing and wash before reuse. Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance Substance/mixture: Bis(3-pyridylmethyl)amine Components: >97.0%(GC) Percent: 1656-94-6 CAS Number: 3,3'-Dipicolylamine , α,α'-Iminodi(3-picoline) Synonyms: C12H13N3 Chemical Formula: Section4. FIRST AID MEASURES Remove victim to fresh air and keep at rest in a position comfortable for breathing. Inhalation: Get medical advice/attention if you feel unwell. Bis(3-pyridylmethyl)amine Section4. FIRST AID MEASURES Remove/Take off immediately all contaminated clothing. Gently wash with plenty of Skin contact: soap and water. If skin irritation or rash occurs: Get medical advice/attention. Rinse cautiously with water for several minutes. Remove contact lenses, if present Eye contact: and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. Get medical advice/attention if you feel unwell. Rinse mouth. Ingestion: A rescuer should wear personal protective equipment, such as rubber gloves and air- Protection of first-aiders: tight goggles. Section5. FIRE-FIGHTING MEASURES Dry chemical, foam, water spray, carbon dioxide. Suitable extinguishing media: Unsuitable extinguishing Solid streams of water media: Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to generate poisonous fume. from the chemical: Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing method according to the surrounding situation is used. Uninvolved persons should evacuate to a safe place. In case of fire in the surroundings: Remove movable containers if safe to do so. When extinguishing fire, be sure to wear personal protective equipment. Special protective equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Use personal protective equipment. Keep people away from and upwind of spill/leak. Personal precautions, protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled emergency procedures: around the leakage area by roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust). containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected up: material should be promptly disposed of, in accordance with appropriate laws and regulations. Section7. HANDLING AND STORAGE Precautions for safe handling Handling is performed in a well ventilated place. Wear suitable protective equipment. Technical measures: Prevent generation of vapour or mist. Wash hands and face thoroughly after handling. Use a ventilation, local exhaust if vapour or aerosol will be generated. Advice on safe handling: Avoid contact with skin, eyes and clothing. Conditions for safe storage, including any incompatibilities Keep container tightly closed. Store in a cool and dark place. Storage conditions: Store under inert gas. Store away from incompatible materials such as oxidizing agents. Air-sensitive Comply with laws. Packaging material: Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Install a closed system or local exhaust as possible so that workers should not be Engineering controls: exposed directly. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Vapor respirator. Follow local and national regulations. Protective gloves. Hand protection: Safety glasses. A face-shield, if the situation requires. Eye protection: Skin and body protection: Protective clothing. Protective boots, if the situation requires. Bis(3-pyridylmethyl)amine Section9. PHYSICAL AND CHEMICAL PROPERTIES Liquid Physical state (20°C): Clear Form: Very pale yellow - Yellow Colour: No data available Odour: pH: No data available Melting point/freezing point:No data available No data available Boiling point/range: No data available Flash point: Flammability or explosive limits: No data available Lower: No data available Upper: 1.12 Relative density: Solubility(ies): No data available [Water] No data available [Other solvents] Section10. STABILITY AND REACTIVITY Stable under proper conditions. Chemical stability: Possibility of hazardous No special reactivity has been reported. reactions: Incompatible materials: Oxidizing agents Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx) products: Section11. TOXICOLOGICAL INFORMATION ivn-mus LD50:250 mg/kg Acute Toxicity: Skin corrosion/irritation: No data available No data available Serious eye damage/irritation: No data available Germ cell mutagenicity: Carcinogenicity: No data available IARC = No data available NTP = No data available Reproductive toxicity: UT4397000 RTECS Number: Section12. ECOLOGICAL INFORMATION Ecotoxicity: No data available Fish: No data available Crustacea: No data available Algae: Persistence / degradability: No data available No data available Bioaccumulative potential(BCF): Mobility in soil No data available Log Pow: No data available Soil adsorption (Koc): No data available Henry's Law constant(PaM3/mol): Section13. DISPOSAL CONSIDERATIONS Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Bis(3-pyridylmethyl)amine Section14. TRANSPORT INFORMATION Does not correspond to the classification standard of the United Nations Hazards Class: Not listed UN-No: Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002 and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 急性毒性：小鼠静脉LD50： 250mg/kg； CHEMICAL IDENTIFICATION RTECS NUMBER : UT4397000 CHEMICAL NAME : Pyridine, 3,3'-(iminodimethylene)di- CAS REGISTRY NUMBER : 1656-94-6 BEILSTEIN REFERENCE NO. : 0162467 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C12-H13-N3 MOLECULAR WEIGHT : 199.28 WISWESSER LINE NOTATION : T6NJ C1M1- CT6NJ HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 250 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 11,242,1956

安全

• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): 20/21/22-36/37/38
• 安全声明 (欧洲): 26-36/37/39
• RTECS号: UT4397000
• 海关编码: 2933399090

合成路线

100-54-9 ~% 3731-52-0 1656-94-6

文献：Journal of the American Chemical Society, , vol. 66, p. 1293

3731-52-0 2038-57-5 ~12% 1656-94-6 183609-21-4

文献：Organic Letters, , vol. 11, # 4 p. 883 - 886

6959-48-4 ~% 1656-94-6 84359-15-9

文献：Tetrahedron Letters, , vol. 45, # 2 p. 397 - 399

59-67-6 ~% 1656-94-6

文献：Journal of the American Chemical Society, , vol. 66, p. 1293

123-91-1 100-54-9 ~% 3731-52-0 1656-94-6

文献：Journal of the American Chemical Society, , vol. 66, p. 1293

100-54-9 64-17-5 ~% 3731-52-0 1656-94-6

文献：Journal of the American Chemical Society, , vol. 66, p. 1293

110-91-8 3731-52-0 ~8% 1656-94-6 141136-36-9 详细

文献：Green Chemistry, , vol. 13, # 11 p. 3096 - 3100

100-54-9 67-56-1 7664-41-7 ~% 1656-94-6

文献：Journal of the American Chemical Society, , vol. 66, p. 876,877

上下游产品

上游产品  10
100-54-9 3731-52-0 2038-57-5 6959-48-4
59-67-6 123-91-1 64-17-5 110-91-8
67-56-1 7664-41-7
下游产品  0

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%