4122-56-9

• 常用中文名：2-醛基苯甲酸甲酯
• 常用英文名：Methyl 2-formylbenzoate
• CAS号：4122-56-9
• 分子式：C₉H₈O₃
• 分子量：164.158
• 相关类别： 化学试剂 有机试剂 芳香醛(含缩醛,半缩醛)
• 发布时间：2018-03-27 08:00:00
• 更新时间：2024-01-02 11:05:35

名称

• 中文名: 2-醛基苯甲酸甲酯
• 英文名: Methyl 2-formylbenzoate
• 中文别名: 邻甲酰基苯甲酸甲酯; 3-氨-2,6-二氟苯甲酸甲酯; 2-甲酰基苯甲酸甲酯
• 英文别名: Benzoicacid,2-formyl-,methylester; MFCD00204231; Benzoic acid, 2-formyl-, methyl ester; methyl benzaldehyde-2-carboxylate; Methyl 2-formylbenzoate; 2-Methoxycarbonylbenzaldehyde; methyl-2-formyl-benzoate; 2-Formyl-benzoic acid methyl ester; Phthalaldehydic acid methyl ester; 2-Carbomethoxybenzaldehyde; methyl o-formylbenzoate; METHYL 2-FORMYLBENZENECARBOXYLATE

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 280.0±23.0 °C at 760 mmHg
• 分子式: C₉H₈O₃
• 分子量: 164.158
• 闪点: 122.2±22.7 °C
• 精确质量: 164.047348
• PSA: 43.37000
• LogP: 1.07
• 外观性状: 淡黄色固体
• 蒸汽压: 0.0±0.6 mmHg at 25°C
• 折射率: 1.558
• 储存条件: 2-8°C，惰性气体氛围
• 分子结构:

  1、 摩尔折射率：44.77

  2、 摩尔体积（cm³/mol）：138.9

  3、 等张比容（90.2K）：357.1

  4、 表面张力（dyne/cm）：43.6

  5、 极化率（10-24cm3）：17.75

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  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:3

  5.互变异构体数量:无

  6.拓扑分子极性表面积43.4

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:177

  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.沸点（ºC）：88

MSDS

Name: Methyl 2-formylbenzoate 97% Material Safety Data Sheet Synonym: CAS: 4122-56-9 Section 1 - Chemical Product MSDS Name:Methyl 2-formylbenzoate 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 4122-56-9 Methyl 2-formylbenzoate 97% unlisted Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Moisture sensitive. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: May cause respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. Notes to Physician: Treat symptomatically and supportively. Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Extinguishing Media: Use foam, dry chemical, or carbon dioxide. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. Store under nitrogen. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 4122-56-9: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: pale yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 78 - 80 deg C @0.01mmHg 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: C9H8O3 Molecular Weight: 164 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials, exposure to moist air or water. Incompatibilities with Other Materials: Acids, bases, oxidizing agents, reducing agents, amines. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide, acrid smoke and fumes. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 4122-56-9 unlisted. LD50/LC50: Not available. Carcinogenicity: Methyl 2-formylbenzoate - 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: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 4122-56-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 4122-56-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 4122-56-9 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): 36/37/38
• 安全声明 (欧洲): S24/25
• 海关编码: 2918300090

合成路线

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海关

海关编码	2918300090
中文概述	2918300090 其他含醛基或酮基不含其他含氧基羧酸（包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物）. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%