21921-76-6

• 常用中文名：4-溴-2-呋喃甲醛
• 常用英文名：4-Bromo-2-furaldehyde
• CAS号：21921-76-6
• 分子式：C₅H₃BrO₂
• 分子量：174.980
• 发布时间：2018-05-18 08:00:00
• 更新时间：2024-01-02 17:56:43

• 
  

名称

• 中文名: 4-溴-2-呋喃甲醛
• 英文名: 4-bromofuran-2-carbaldehyde
• 中文别名: 4-溴糠醛; 4-溴-2-糠醛
• 英文别名: 4-Bromo-furan-2-carbaldehyde; 4-bromofuran-2-carbaldehyde; 4-bromofuran-2-carboxaldehyde; 4-Bromfuran-2-carbaldehyd; 4-bromo-2-furancarbaldehyde; MFCD00671504; 4-Bromo-2-formylfuran; 2-Furancarboxaldehyde, 4-bromo-; 4-Bromofurfural; 4-Bromo-2-furaldehyde; 4-bromo-2-furancarboxyaldehyde

物化性质

• 密度: 1.7±0.1 g/cm3
• 沸点: 225.0±20.0 °C at 760 mmHg
• 熔点: 54-58 °C
• 分子式: C₅H₃BrO₂
• 分子量: 174.980
• 闪点: 89.9±21.8 °C
• 精确质量: 173.931641
• PSA: 30.21000
• LogP: 1.63
• 外观性状: 固体;White to Orange to Green powder to crystal
• 蒸汽压: 0.1±0.4 mmHg at 25°C
• 折射率: 1.573
• 储存条件:

  冰冻

• 分子结构:

  1、 摩尔折射率：32.99

  2、 摩尔体积(cm³/mol)：100.0

  3、 等张比容(90.2K)：256.8

  4、 表面张力(dyne/cm)：43.3

  5、 极化率(10-24cm³)：13.08

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.5

  2.氢键供体数量:0

  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:无

  6.拓扑分子极性表面积30.2

  7.重原子数量:8

  8.表面电荷:0

  9.复杂度:94.4

  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：未确定

  2.密度（g/mL,25/4℃）：未确定

  3.相对蒸汽密度（g/mL,空气=1）：未确定

  4.熔点（ºC）：54-58

  5.沸点（ºC,常压）：未确定

  6.沸点（ºC,5.2kPa）：未确定

  7.折射率：未确定

  8.闪点（ºC）：>230

  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

4-Bromo-2-furaldehyde Revision number: 1 SAFETY DATA SHEET Section1. BASE INFORMATION Product name:4-Bromo-2-furaldehyde Revision number:1 Section2. HAZARDS IDENTIFICATION Classification of the GHS PHYSICAL HAZARDSNot classified HEALTH HAZARDS Category 2 Skin corrosion/irritation Serious eye damage/eye irritationCategory 2A Not classified ENVIRONMENTAL HAZARDS GHS label elements Pictograms or hazard symbols Signal wordWarning Hazard statementCauses skin irritation Causes serious eye irritation Precautionary statements [Prevention]Wash hands thoroughly after handling. Wear protective gloves/eye protection/face protection. [Response]IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. IF ON SKIN: Gently wash with plenty of soap and water. If skin irritation occurs: Get medical advice/attention. Take off contaminated clothing and wash before reuse. Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Component(s):4-Bromo-2-furaldehyde Percent:>95.0%(GC) CAS Number:21921-76-6 Synonyms:4-Bromofurfural Chemical Formula:C5H3BrO2 Section4. FIRST AID MEASURES Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing. Get medical advice/attention if you feel unwell. 4-Bromo-2-furaldehyde Section4. FIRST AID MEASURES Skin contact:Remove/Take off immediately all contaminated clothing. Gently wash with plenty of soap and water. If skin irritation or rash occurs: Get medical advice/attention. Eye contact:Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. Ingestion:Get medical advice/attention if you feel unwell. Rinse mouth. A rescuer should wear personal protective equipment, such as rubber gloves and air- Protection of first-aiders: tight goggles. Section5. FIRE-FIGHTING MEASURES Suitable extinguishingDry chemical, foam, water spray, carbon dioxide. media: Specific hazards:Take care as it may decompose upon combustion or in high temperatures to generate poisonous fume. Specific methods:Fire-extinguishing work is done from the windward and the suitable fire-extinguishing method according to the surrounding situation is used. Uninvolved persons should evacuate to a safe place. In case of fire in the surroundings: Remove movable containers if safe to do so. Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Personal precautions,Use personal protective equipment. Keep people away from and upwind of spill/leak. protective equipment and Entry to non-involved personnel should be controlled around the leakage area by emergency procedures: roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it. containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with up: appropriate laws and regulations. Section7. HANDLING AND STORAGE Handling Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment. Prevent dispersion of dust. Wash hands and face thoroughly after handling. Use a local exhaust if dust or aerosol will be generated. Advice on safe handling:Avoid contact with skin, eyes and clothing. Storage Keep container tightly closed. Store in a refrigerator. Storage conditions: Store under inert gas. Store away from incompatible materials such as oxidizing agents. Packaging material:Law is followed. Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Engineering controls:Install a closed system or local exhaust as possible so that workers should not be exposed directly. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Dust respirator. Follow local and national regulations. Hand protection:Protective gloves. Eye protection:Safety glasses. A face-shield, if the situation requires. Skin and body protection: Protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Solid Physical state (20°C): Form:crystal - powder Color:White - Pale yellow Odor:No data available 4-Bromo-2-furaldehyde Section9. PHYSICAL AND CHEMICAL PROPERTIES pH: No data available Melting point/freezing point:55 °C Boiling Point/Range:No data available Flash Point:No data available Explosive limits No data available Lower: Upper:No data available No data available Density: Solubility:No data available Section10. STABILITY AND REACTIVITY Stability:Stable under proper conditions. Reactivity:No special reactivity has been reported. Conditions to avoid:Heat-sensitive, Air-sensitive Incompartible materials: oxidizing agents Hazardous Decomposition Carbon monoxide, Carbon dioxide, Hydrogen bromide Products: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:No data available Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: IARC =No data available No data available NTP = Reproductive toxicity:No data available Section12. ECOLOGICAL INFORMATION Ecotoxicity: Fish:No data available Crustacea:No data available Algae:No data available Persistence / degradability: No data available BioaccumulativeNo data available potential(BCF): Mobillity in soil log Pow:No data available Soil adsorption (Koc):No data available Henry's LawNo data available constant(PaM3/mol): Section13. DISPOSAL CONSIDERATIONS Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Section14. TRANSPORT INFORMATION Hazards Class:Does not correspond to the classification standard of the United Nations UN-No:Not Listed Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. 4-Bromo-2-furaldehyde SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 生态学数据:

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H302-H315-H317-H319-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;R36/37/38;R43
• 安全声明 (欧洲): S26-S28-S36/37/39
• 危险品运输编码: NONH for all modes of transport
• 海关编码: 2932190090

合成路线

27065-51-6 ~85% 21921-76-6

文献：Chiarello; Joullie Tetrahedron, 1988 , vol. 44, # 1 p. 41 - 48

98-01-1 ~44% 1899-24-7 2433-85-4 21921-76-6

文献：Asian Journal of Chemistry, , vol. 24, # 2 p. 927 - 928

98-01-1 ~% 21921-76-6

文献：Tetrahedron, , vol. 44, # 1 p. 41 - 48

4828-13-1 ~% 21921-76-6

文献：Tetrahedron, , vol. 44, # 1 p. 41 - 48

98-01-1 ~5% 1899-24-7 21921-76-6

文献：Asian Journal of Chemistry, , vol. 24, # 2 p. 927 - 928

2433-85-4 ~95% 21921-76-6

文献：Antonioletti, Roberto; D'Auria, Maurizio; Mico, Antonella De; Piancatelli, Giovanni; Scettri, Arrigo Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1985 , p. 1285 - 1288

制备

海关

海关编码	2932190090
中文概述	2932190090 其他结构上有非稠合呋喃环化合物. 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:20.0%
申报要素	品名, 成分含量, 用途
Summary	2932190090 other compounds containing an unfused furan ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%