71255-09-9

• 常用中文名：2-甲氧基-3-吡啶醛
• 常用英文名：2-Methoxypyridine-3-carbaldehyde
• CAS号：71255-09-9
• 分子式：C₇H₇NO₂
• 分子量：137.136
• 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：2018-09-21 15:29:50
• 更新时间：2024-01-07 11:36:56
• 下载msds

名称

• 中文名: 2-甲氧基吡啶-3-甲醛
• 英文名: 2-Methoxypyridine-3-carboxaldehyde
• 中文别名: 2-甲氧基烟碱醛; 2-甲氧基-3-吡啶醛
• 英文别名: 2-methoxypyridine-3-carbaldehyde; 2-Methoxy-3-pyridinecarboxaldehyde; 3-Pyridinecarboxaldehyde, 2-methoxy-; MFCD04115112; 2-Methoxynicotinaldehyde

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 235.3±20.0 °C at 760 mmHg
• 分子式: C₇H₇NO₂
• 分子量: 137.136
• 闪点: 96.1±21.8 °C
• 精确质量: 137.047684
• PSA: 39.19000
• LogP: 1.33
• 蒸汽压: 0.1±0.5 mmHg at 25°C
• 折射率: 1.551
• 储存条件:

  存放在密封容器内，并放在阴凉，干燥处。储存的地方必须远离氧化剂。

• 稳定性:

  远离氧化物。

• 分子结构:

  1、 摩尔折射率：37.77

  2、 摩尔体积（m³/mol）：118.3

  3、 等张比容（90.2K）：303.1

  4、 表面张力（dyne/cm）：43.0

  5、 极化率（10^-24cm³）：14.97

• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.6

  2.氢键供体数量:0

  3.氢键受体数量:3

  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39.2

  7.重原子数量:10

  8.表面电荷:0

  9.复杂度:116

  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℃）：1.161

  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）：200-201

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：1.5500

  8. 闪点（ºC）：96

  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

Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE Product name: 2-Methoxy-3-pyridinecarboxaldehyde Section2. HAZARDS IDENTIFICATION Classification of the substance or mixture According to Regulation (EC) No1272/2008 Serious eye damage (Category 1) Skin sensitization (Category 1) According to European Directive 67/548/EEC as amended. Risk of serious damage to eyes. May cause sensitization by skin contact. Label elements Pictogram Signal wordDanger Hazard statement(s) H317May cause an allergic skin reaction. H318Causes serious eye damage. Precautionary statement(s) 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. Hazard symbol(s) XiIrritant R-phrase(s) R41Risk of serious damage to eyes. R43May cause sensitization by 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 Formula: C7H7NO2 Molecular Weight: 137,14 g/mol CAS-No.EC-No.Index-No.ClassificationConcentration 2-Methoxy-3-pyridinecarboxaldehyde 71255-09-9--Eye Dam. 1; Skin Sens. 1;- H317, H318 Xi, R41 - R43 For the full text of the H-Statements mentioned in this Section, see Section 16. Section4. 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. Section5. FIRE-FIGHTING MEASURES Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Special protective equipment for fire-fighters Wear self contained breathing apparatus for fire fighting if necessary. Section6. ACCIDENTAL RELEASE MEASURES Personal precautions Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Environmental precautions Do not let product enter drains. Methods and materials for containment and cleaning up Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed containers for disposal. Section7. HANDLING AND STORAGE Precautions for safe handling Avoid contact with skin and eyes. Avoid inhalation of vapour or mist. Normal measures for preventive fire protection. Conditions for safe storage Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Store in cool place. Section8. EXPOSURE CONTROLS/PERSONAL PROTECTION Personal protective equipment Respiratory protection Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator with multi-purpose combination (US) or type ABEK (EN 14387) 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). Hand 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. Eye protection Tightly fitting safety goggles. Faceshield (8-inch minimum). Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin and 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. Hygiene measures Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Section9. PHYSICAL AND CHEMICAL PROPERTIES Appearance Formliquid Colouryellow Safety data pH no data available Melting pointno data available Boiling point200 - 201 °C - lit. Flash point96 °C - closed cup Ignition temperature no data available Lower explosion limit no data available Upper explosion limit no data available Density1,161 g/cm3 at 25 °C Water solubilityno data available Partition coefficient: log Pow: 0,503 n-octanol/water Section10. STABILITY AND REACTIVITY Chemical stability Stable under recommended storage conditions. Conditions to avoid no data available Materials to avoid Oxidizing agents Hazardous decomposition products Hazardous decomposition products formed under fire conditions. - Carbon oxides, nitrogen oxides (NOx) Section11. TOXICOLOGICAL INFORMATION Acute toxicity no data available Skin corrosion/irritation no data available Serious eye damage/eye irritation no data available Respiratory or skin sensitization May cause sensitization by skin contact. 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 no data available Specific target organ toxicity - repeated exposure no data available Aspiration hazard no data available Potential health effects InhalationMay be harmful if inhaled. May cause respiratory tract irritation. IngestionMay be harmful if swallowed. SkinMay be harmful if absorbed through skin. May cause 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 PBT and vPvB assessment no data available Other adverse effects no data available Section13. DISPOSAL CONSIDERATIONS Product Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional waste disposal service to dispose of this material. Contaminated packaging Dispose of as unused product. Section14. TRANSPORT INFORMATION ADR/RID Not dangerous goods IMDG Not dangerous goods IATA Not dangerous goods Section15. REGULATORY INFORMATION This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006. Section16. OTHER INFORMATION Text of H-code(s) and R-phrase(s) mentioned in Section 3 Eye Dam.Serious eye damage H317May cause an allergic skin reaction. H318Causes serious eye damage. Skin Sens.Skin sensitization XiIrritant R41Risk of serious damage to eyes. R43May cause sensitization by skin contact. Further information Copyright 2010 Co. 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. Co., shall not be held liable for any damage resulting from handling or from contact with the above product. See reverse side of invoice or packing slip for additional terms and conditions of sale.

毒性和生态

生态学数据: 对水稍微有危害的，不要让未稀释或者大量产品接触地下水，水道或者污水系统。若无政府许可，勿将材料排入周围环境。

安全

• 符号: GHS05, GHS07
• 信号词: Danger
• 危害声明: H317-H318
• 警示性声明: P280-P305 + P351 + P338
• 个人防护装备: Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
• 危害码 (欧洲): Xi:Irritant;
• 风险声明 (欧洲): R41;R43
• 安全声明 (欧洲): S26-S36/37/39
• 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

13472-59-8 68-12-2 ~87% 71255-09-9

文献：Struk, Lukasz; Sosnicki, Jacek G. Synthesis, 2012 , vol. 44, # 5 p. 735 - 746

1628-89-3 109-72-8 68-12-2 ~40% 71255-09-9 详细

文献：Trecourt, F.; Mallet, M.; Marsais, F.; Queguiner, G. Journal of Organic Chemistry, 1988 , vol. 53, # 7 p. 1367 - 1371

1628-89-3 68-12-2 ~% 71255-09-9

文献：Journal of Organic Chemistry, , vol. 55, # 1 p. 69 - 73

1628-89-3 68-12-2 ~% 71255-09-9 112219-56-4

文献：Journal of Organic Chemistry, , vol. 53, # 7 p. 1367 - 1371

2591-86-8 1628-89-3 ~% 71255-09-9

文献：Journal of Organometallic Chemistry, , vol. 406, # 1+2 p. 49 - 56

1628-89-3 109-94-4 ~% 71255-09-9 112219-56-4 详细

文献：Journal of Organic Chemistry, , vol. 53, # 7 p. 1367 - 1371

109-09-1 ~% 71255-09-9

文献：Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , # 9 p. 2409 - 2415

124-41-4 36404-88-3 ~% 71255-09-9

文献：Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , # 9 p. 2409 - 2415

上下游产品

上游产品  9
13472-59-8 68-12-2 1628-89-3 109-72-8
2591-86-8 109-94-4 109-09-1 124-41-4
36404-88-3
下游产品  4
36404-89-4 354824-19-4 131674-41-4 112197-16-7

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%