103438-88-6

• 常用中文名：2-氟-3-甲氧基苯甲醛
• 常用英文名：2-Fluoro-3-methoxybenzaldehyde
• CAS号：103438-88-6
• 分子式：C₈H₇FO₂
• 分子量：154.138
• 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：2018-07-25 15:00:02
• 更新时间：2024-01-12 22:10:20
• 下载msds

名称

• 中文名: 2-氟-3-甲氧基苯甲醛
• 英文名: 2-fluoro-3-methoxybenzaldehyde
• 中文别名: 2-氟-3-甲氧苯甲醛
• 英文别名: 2-Fluoro-3-methoxybenzaldehyde; 2-Fluoro-3-formylanisole; VHR BF CO1; 2-fluoro-methoxy-benzaldehyde; 6-formyl-2-methoxyfluorobenzene; MFCD03411962; Benzaldehyde, 2-fluoro-3-methoxy-; 2-fluoro-3-methoxy-benzaldehyde; 2-Fluoro-m-anisaldehyde

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 239.9±20.0 °C at 760 mmHg
• 熔点: 47-51 °C(lit.)
• 分子式: C₈H₇FO₂
• 分子量: 154.138
• 闪点: 96.1±16.7 °C
• 精确质量: 154.043015
• PSA: 26.30000
• LogP: 1.74
• 外观性状: 白色至黄色结晶固体
• 蒸汽压: 0.0±0.5 mmHg at 25°C
• 折射率: 1.526
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。远离氧化剂。

• 稳定性:

  常温常压下稳定，避免与强氧化剂接触。

• 分子结构:

  1、摩尔折射率：39.67

  2、摩尔体积（cm³/mol）：129.3

  3、等张比容（90.2K）：316.1

  4、表面张力（dyne/cm）：35.7

  5、介电常数：无可用的

  6、极化率（10^-24cm³）：15.72

  7、单一同位素质量：154.043008 Da

  8、标称质量：154 Da

  9、平均质量：154.1384 Da

• 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:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积26.3

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:138

  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：浅绿色晶体状粉末

  2. 密度（g/mL,25℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：47-51

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC，15mmHg）：未确定

  7. 折射率(n20/D)：未确定

  8. 闪点（ºC）：＞110

  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（mmHg,20ºC）：未确定

  12. 饱和蒸气压（kPa,25ºC）：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

Material Safety Data Sheet Section1. Identification of the substance 2-Fluoro-3-methoxybenzaldehyde Product Name: Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. H302:Harmful if swallowed H315:Causes skin irritation H317:May cause an allergic skin reaction H318:Causes serious eye damage May cause respiratory irritation H335: P261:Avoid breathing dust/fume/gas/mist/vapours/spray P280:Wear protective gloves/protective clothing/eye protection/face protection P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do – continue rinsing Section3. Composition/information on ingredients. 2-Fluoro-3-methoxybenzaldehyde Ingredient name: CAS number:103438-88-6 Section4. First aid measures Immediately wash skin with copious amounts of water for at least 15 minutes while removing Skin contact: contaminated clothing and shoes. If irritation persists, seek medical attention. Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical attention. Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention. Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention. Ingestion: Section5. Fire fighting measures In the event of a fire involving this material, alone or in combination with other materials, use dry powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus should be worn. Section6. Accidental release measures Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national standards. Respiratory precaution:Wear approved mask/respirator Hand precaution:Wear suitable gloves/gauntlets Skin protection:Wear suitable protective clothing Eye protection:Wear suitable eye protection Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container for disposal. See section 12. Environmental precautions: Do not allow material to enter drains or water courses. Section7. Handling and storage Handling:This product should be handled only by, or under the close supervision of, those properly qualified in the handling and use of potentially hazardous chemicals, who should take into account the fire, health and chemical hazard data given on this sheet. Storage:Store in closed vessels, refrigerated. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Not specified Appearance: Boiling point:No data Melting point:No data Flash point:No data Density:No data Molecular formula:C8H7FO2 Molecular weight:154.1 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, hydrogen fluoride. Section11. Toxicological information No data. Section12. Ecological information No data. Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 对水稍微危害，避免未稀释或大量的产品接触地下水、水道或污水系统。 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: H302-H315-H317-H318-H335
• 警示性声明: P261-P280-P305 + P351 + P338
• 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): S26-S36
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• 海关编码: 2913000090

合成路线

693220-47-2 ~85% 103438-88-6

文献：ELI LILLY AND COMPANY Patent: WO2004/43931 A1, 2004 ; Location in patent: Page 40-41 ; WO 2004/043931 A1

321-28-8 68-12-2 ~69% 103438-88-6

文献：SCHERING AKTIENGESELLSCHAFT Patent: WO2005/34939 A1, 2005 ; Location in patent: Page/Page column 67 ;

198203-94-0 ~% 103438-88-6

文献：Bioorganic and Medicinal Chemistry Letters, , vol. 22, # 14 p. 4599 - 4604

1000339-24-1 ~% 103438-88-6

文献：Bioorganic and Medicinal Chemistry Letters, , vol. 22, # 14 p. 4599 - 4604

103438-87-5 ~% 591-31-1 103438-88-6

文献：Journal of Medicinal Chemistry, , vol. 29, # 10 p. 1982 - 1988

321-28-8 68-12-2 ~% 74266-68-5 103438-88-6

文献：Journal of Organic Chemistry, , vol. 53, # 14 p. 3145 - 3147

海关

海关编码	2913000090
中文概述	2913000090 品目2912所列产品的其他衍生物〔指卤化,磺化,硝化或亚硝化的衍生物〕. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	HS: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0%