3099-28-3

• 常用中文名：2,6-双(氯甲基)吡啶
• 常用英文名：Pyridine,2,6-bis(chloromethyl)-
• CAS号：3099-28-3
• 分子式：C₇H₇Cl₂N
• 分子量：176.04300
• 相关类别： 医药中间体 杂环化合物 吡啶类化合物 吡啶衍生物
• 发布时间：2018-06-03 08:00:00
• 更新时间：2024-01-05 10:32:28

• 血脉宁（安吉宁）的中间体。

名称

• 中文名: 2,6-双(氯甲基)吡啶
• 英文名: 2,6-bis(chloromethyl)pyridine
• 中文别名: 2,6-双(氯甲基)吡啶; α,α'-二氯-2,6-二甲基吡啶; 2,6-二氯甲基吡啶
• 英文别名: MFCD00142844; 2,4-PYRIMIDINEDIAMINE,6-ETHYL; 2,6-Bis(chloromethyl)pyridine

物化性质

• 密度: 1.275g/cm3
• 沸点: 110 °C / 3mmHg
• 熔点: 73-78 °C(lit.)
• 分子式: C₇H₇Cl₂N
• 分子量: 176.04300
• 闪点: 129.7ºC
• 精确质量: 174.99600
• PSA: 12.89000
• LogP: 2.55920
• 储存条件:

  密闭于阴凉干燥环境中

• 稳定性:

  遵照规定使用和储存则不会分解。

• 分子结构:

  1、 摩尔折射率：43.87

  2、 摩尔体积（m³/mol）：138.0

  3、 等张比容（90.2K）：351.9

  4、 表面张力（dyne/cm）：42.2

  5、 极化率（10^-24cm³）：17.39

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.7

  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:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积12.9

  7.重原子数量:10

  8.表面电荷:0

  9.复杂度:87.6

  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：针状结晶

  2. 密度（g/mL,25/4℃）：无可用

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：74-75

  5. 沸点（ºC,常压）：110

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：无可用

  8. 闪点（ºC）：无可用

  9. 比旋光度（º）：无可用

  10. 自燃点或引燃温度（ºC）：无可用

  11. 蒸气压（kPa,25ºC）：无可用

  12. 饱和蒸气压（kPa,60ºC）：无可用

  13. 燃烧热（KJ/mol）：无可用

  14. 临界温度（ºC）：无可用

  15. 临界压力（KPa）：无可用

  16. 油水（辛醇/水）分配系数的对数值：无可用

  17. 爆炸上限（%,V/V）：无可用

  18. 爆炸下限（%,V/V）：无可用

  19. 溶解性：无可用

MSDS

Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE Product identifiers Product name: 2,6-Bis(chloromethyl)pyridine CAS-No.: 3099-28-3 Relevant identified uses of the substance or mixture and uses advised against Identified uses: Laboratory chemicals, Manufacture of substances Section2. HAZARDS IDENTIFICATION Classification of the substance or mixture Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP] Acute toxicity, Oral (Category 4) Skin irritation (Category 2) Serious eye damage (Category 1) Specific target organ toxicity - single exposure (Category 3) Classification according to EU Directives 67/548/EEC or 1999/45/EC Harmful if swallowed. Irritating to respiratory system and skin. Risk of serious damage to eyes. Label elements Labelling according Regulation (EC) No 1272/2008 [CLP] Pictogram Signal wordDanger Hazard statement(s) H302Harmful if swallowed. H315Causes skin irritation. H318Causes serious eye damage. H335May cause respiratory irritation. Precautionary statement(s) P261Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray. P280Wear protective gloves/ eye protection/ face protection. P305 + P351 + P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Supplemental Hazardnone Statements According to European Directive 67/548/EEC as amended. Hazard symbol(s) R-phrase(s) R22Harmful if swallowed. R37/38Irritating to respiratory system and skin. R41Risk of serious damage to eyes. S-phrase(s) S26In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39Wear suitable protective clothing, gloves and eye/face protection. Other hazards Lachrymator. Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substances : α,α′-Dichloro-2,6-lutidine Synonyms Formula: C7H7Cl2N Molecular Weight: 176,04 g/mol ComponentConcentration 2,6-Bis(chloromethyl)pyridine CAS-No.3099-28-3- Section4. FIRST AID MEASURES Description of first aid measures General advice Consult a physician. Show this safety data sheet to the doctor in attendance. If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Wash off with soap and plenty of water. Consult a physician. In case of eye contact Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician. Most important symptoms and effects, both acute and delayed To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly investigated. Indication of any immediate medical attention and special treatment needed no data available Section5. FIREFIGHTING MEASURES Extinguishing media Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Special hazards arising from the substance or mixture Carbon oxides, nitrogen oxides (NOx), Hydrogen chloride gas Advice for firefighters Wear self contained breathing apparatus for fire fighting if necessary. Further information no data available Section6. ACCIDENTAL RELEASE MEASURES Personal precautions, protective equipment and emergency procedures Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. Environmental precautions Do not let product enter drains. Methods and materials for containment and cleaning up Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed containers for disposal. Reference to other sections For disposal see section 13. Section7. HANDLING AND STORAGE Precautions for safe handling Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire protection. Conditions for safe storage, including any incompatibilities Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Specific end uses no data available Section8. EXPOSURE CONTROLS/PERSONAL PROTECTION Control parameters Components with workplace control parameters Exposure controls Appropriate engineering controls Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Personal protective equipment Eye/face protection Face shield and safety glasses Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Body Protection Complete suit protecting against chemicals, The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Respiratory protection Where risk assessment shows air-purifying respirators are appropriate use a full-face particle respirator type N100 (US) or type P3 (EN 143) respirator cartridges as a backup to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). Section9. PHYSICAL AND CHEMICAL PROPERTIES Information on basic physical and chemical properties a) AppearanceForm: crystalline Colour: beige b) Odourno data available c) Odour Thresholdno data available d) pHno data available e) Melting point/freezingMelting point/range: 73 - 78 °C - lit. point f) Initial boiling point and no data available boiling range g) Flash pointno data available h) Evaporation rateno data available i) Flammability (solid, gas) no data available j) Upper/lowerno data available flammability or explosive limits k) Vapour pressureno data available l) Vapour densityno data available m) Relative densityno data available n) Water solubilityno data available o) Partition coefficient: n- log Pow: 1,797 octanol/water p) Autoignitionno data available temperature q) Decompositionno data available temperature r) Viscosityno data available s) Explosive propertiesno data available t) Oxidizing propertiesno data available Other safety information no data available Section10. STABILITY AND REACTIVITY Reactivity no data available Chemical stability no data available Possibility of hazardous reactions no data available Conditions to avoid no data available Incompatible materials Oxidizing agents Hazardous decomposition products Other decomposition products - no data available Section11. TOXICOLOGICAL INFORMATION Information on toxicological effects Acute toxicity no data available Skin corrosion/irritation no data available Serious eye damage/eye irritation no data available Respiratory or skin sensitization no data available Germ cell mutagenicity no data available Carcinogenicity IARC:No component of this product present at levels greater than or equal to 0.1% is identified as probable, possible or confirmed human carcinogen by IARC. Reproductive toxicity no data available Specific target organ toxicity - single exposure Inhalation - May cause respiratory irritation. Specific target organ toxicity - repeated exposure no data available Aspiration hazard no data available Potential health effects InhalationMay be harmful if inhaled. Causes respiratory tract irritation. IngestionHarmful if swallowed. SkinMay be harmful if absorbed through skin. Causes skin irritation. EyesCauses eye burns. Signs and Symptoms of Exposure To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly investigated. Additional Information RTECS: Not available Section12. ECOLOGICAL INFORMATION Toxicity no data available Persistence and degradability no data available Bioaccumulative potential no data available Mobility in soil no data available Results of PBT and vPvB assessment no data available Other adverse effects no data available Section13. DISPOSAL CONSIDERATIONS Waste treatment methods Product Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional waste disposal service to dispose of this material. Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. Contaminated packaging Dispose of as unused product. Section14. TRANSPORT INFORMATION UN number ADR/RID: -IMDG: -IATA: 3335 UN proper shipping name ADR/RID: Not dangerous goods IMDG: Not dangerous goods IATA:Aviation regulated solid, n.o.s. (2,6-Bis(chloromethyl)pyridine) Transport hazard class(es) ADR/RID: -IMDG: -IATA: 9 Packaging group ADR/RID: -IMDG: -IATA: - Environmental hazards ADR/RID: noIMDG Marine pollutant: noIATA: no Special precautions for user no data available Section15. REGULATORY INFORMATION This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006. Safety, health and environmental regulations/legislation specific for the substance or mixture no data available Chemical Safety Assessment no data available Section16. OTHER INFORMATION Further information Copyright 2012 Co. LLC. License granted to make unlimited paper copies for internal use only. The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. Corporation and its Affiliates shall not be held liable for any damage resulting from handling or from contact with the above product. See and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

毒性和生态

生态学数据: 该物质对环境可能有危害，对水体应给予特别注意。

安全

• 符号: GHS05, GHS07
• 信号词: Danger
• 危害声明: H302-H315-H318-H335
• 警示性声明: P261-P280-P305 + P351 + P338
• 个人防护装备: dust mask type N95 (US);Eyeshields;Gloves
• 危害码 (欧洲): Xn: Harmful;
• 风险声明 (欧洲): R22
• 安全声明 (欧洲): S26-S36/37/39
• 危险品运输编码: UN3335 9
• WGK德国: 3
• 海关编码: 2933399090

合成路线

1195-59-1 ~95% 3099-28-3

文献：Bailey, Neil A.; Fenton, David E.; Kitchen, Simon J.; Lilley, Terence H.; Williams, Mark G.; et al. Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999), 1991 , # 4 p. 627 - 637

5453-67-8 ~% 3099-28-3

文献：Journal of the American Chemical Society, , vol. 106, # 19 p. 5497 - 5505

108-48-5 ~32% 3099-29-4 3099-28-3 56533-58-5 详细

文献：Synthesis, , # 8 p. 676 - 679

108-48-5 ~% 3099-28-3

文献：Inorganic Chemistry, , vol. 51, # 4 p. 2325 - 2331

15658-60-3 ~% 3099-28-3

文献：Dalton Transactions, , vol. 41, # 48 p. 14480 - 14483

499-83-2 ~% 3099-28-3

文献：Dalton Transactions, , vol. 41, # 48 p. 14480 - 14483

108-48-5 ~% 3099-28-3 56533-57-4

文献：Chemistry of Heterocyclic Compounds (New York, NY, United States), , vol. 16, # 1 p. 89 - 93 Khimiya Geterotsiklicheskikh Soedinenii, , vol. 16, # 1 p. 105 - 110

上下游产品

上游产品  5
1195-59-1 5453-67-8 108-48-5 15658-60-3
499-83-2
下游产品  10
102363-19-9 25117-68-4 1195-59-1 201160-41-0
73892-45-2 66433-94-1 66433-95-2 66433-99-6
84203-61-2 85932-62-3

制备

用2,6-二甲基吡啶在紫外线催化下以氯气氯化制得。

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%