142404-82-8

• 常用中文名：2-乙酰氨基-5-溴-4-甲基吡啶
• 常用英文名：2-acetamido-4-methyl-5-bromopyridine
• CAS号：142404-82-8
• 分子式：C₈H₉BrN₂O
• 分子量：229.07400
• 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：2018-12-31 16:40:22
• 更新时间：2024-01-04 16:49:16
• 下载msds

名称

• 中文名: 2-乙酰氨基-5-溴-4-甲基吡啶
• 英文名: N-(5-Bromo-4-methylpyridin-2-yl)acetamide
• 中文别名: N-(5-溴-4-甲基吡啶-2-基)乙酰胺
• 英文别名: N-(5-bromo-4-methylpyridin-2-yl)acetamide; MFCD06798092

物化性质

• 密度: 1.545 g/cm3
• 沸点: 372.5ºC at 760 mmHg
• 熔点: 151-155ºC
• 分子式: C₈H₉BrN₂O
• 分子量: 229.07400
• 闪点: 179.1ºC
• 精确质量: 227.99000
• PSA: 41.99000
• LogP: 2.18390
• 蒸汽压: 9.6E-06mmHg at 25°C
• 折射率: 1.606
• 储存条件: 室温
• 分子结构:

  1、 摩尔折射率：51.13

  2、 摩尔体积（cm³/mol）：148.1

  3、 等张比容（90.2K）：393.3

  4、 表面张力（dyne/cm）：49.6

  5、 极化率（10-24cm3）：20.26

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.4

  2.氢键供体数量:1

  3.氢键受体数量:2

  4.可旋转化学键数量:1

  5.互变异构体数量:7

  6.拓扑分子极性表面积42

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:174

  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. 熔点（ºC）：151-155

MSDS

Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE Product identifiers Product name: 2-Acetylamino-5-bromo-4-methylpyridine CAS-No.: 142404-82-8 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) Respiratory sensitization (Category 1) Skin sensitization (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. May cause sensitization by inhalation and skin contact. Label elements Labelling according Regulation (EC) No 1272/2008 [CLP] Pictogram Signal wordDanger Hazard statement(s) H302Harmful if swallowed. H315Causes skin irritation. H317May cause an allergic skin reaction. H318Causes serious eye damage. H334May cause allergy or asthma symptoms or breathing difficulties if inhaled. H335May cause respiratory irritation. Precautionary statement(s) P261Avoid breathing dust. 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. P342 + P311If experiencing respiratory symptoms: Call a POISON CENTER or doctor/ physician. 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. R42/43May cause sensitization by inhalation and skin contact. 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 - none Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substances Formula: C8H9BrN2O Molecular Weight: 229,07 g/mol ComponentConcentration 2-Acetylamino-5-bromo-4-methylpyridine CAS-No.142404-82-8- 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 bromide 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: solid b) Odourno data available c) Odour Thresholdno data available d) pHno data available e) Melting point/freezingMelting point/range: 151 - 155 °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: 1,619 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 The preceding data, or interpretation of data, was determined using Quantitative Structure Activity Relationship (QSAR) modeling. Prolonged or repeated exposure may cause allergic reactions in certain sensitive individuals. May cause allergic respiratory and skin reactions 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: - UN proper shipping name ADR/RID: Not dangerous goods IMDG: Not dangerous goods IATA:Not dangerous goods Transport hazard class(es) ADR/RID: -IMDG: -IATA: - Packaging group ADR/RID: -IMDG: -IATA: - Environmental hazards ADR/RID: noIMDG Marine pollutant: noIATA: no Special precautions for user no data available SECTION 15 - REGULATORY INFORMATION N/A SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 符号: GHS05, GHS07, GHS08
• 信号词: Danger
• 危害声明: H302-H315-H317-H318-H334-H335
• 警示性声明: P261-P280-P305 + P351 + P338-P342 + P311
• 个人防护装备: dust mask type N95 (US);Eyeshields;Faceshields;Gloves
• 危害码 (欧洲): Xn: Harmful;
• 风险声明 (欧洲): R22
• 安全声明 (欧洲): 26-36/37/39
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• 海关编码: 2933399090

合成路线

5327-32-2 ~81% 142404-82-8

文献：ISHIHARA SANGYO KAISHA, LTD. Patent: WO2009/88103 A1, 2009 ; Location in patent: Page/Page column 15 ;

98198-48-2 108-24-7 ~77% 142404-82-8

文献：Dunn; Norrie Advanced Synthesis and Catalysis, 1996 , vol. 338, # 7 p. 663 - 666

695-34-1 108-24-7 ~% 142404-82-8

文献：WO2012/106189 A1, ; Page/Page column 13 ;

上下游产品

上游产品  4
5327-32-2 98198-48-2 108-24-7 695-34-1
下游产品  5
452296-79-6 884495-14-1 100367-40-6 676491-46-6
917918-82-2

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%