4-Acetamidobenzaldehyde 对乙酰氨基苯甲醛

CAS 122-85-0 MFCD00003380

化学结构图

122-85-0
SMILES: CC(=O)Nc1ccc(C=O)cc1

化学属性

Mol. FormulaC9H9NO2
Mol. Weight163.17
Melting Point154-158°C
Density1.422
TSCAYes
Appearance 针状体结晶，熔点156℃。新制备的产品无色，放置后很快变成黄色。溶于水和苯，微溶于醇。
Boiling Point384.3°C at 760 mmHg

别名和识别编码

Chemical Name4-Acetamidobenzaldehyde
Synonym N-(4-Formylphenyl)acetamide {LY} N-(4-Formylphenyl)acetamide {} {LY} N-(4-Formylphenyl)acetamide {} {} {LY} N-(4-Formylphenyl)acetamide {} {} {} {LY} N-(4-Formylphenyl)acetamide {} {} {} {} {LY} N-(4-Formylphenyl)acetamide {} {} {} {} {} {LY} N-(4-Formylphenyl)acetamide {} {} {} {} {} {} {LY} N-(4-Formylphenyl)acetamide {} {} {} {} {} {} {} {LY} N-(4-Formylphenyl)acetamide {} {} {} {} {} {} {} {} {LY} N-(4-Formylphenyl)acetamide {} {} {} {} {} {} {} {} {} {LY} N-(4-Formylphenyl)acetamide {} {} {} {} {} {} {} {} {} {} {LY} N-(4-Formylphenyl)acetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-(4-Formylphenyl)acetamide {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-(4-Formylphenyl)acetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-(4-Formylphenyl)acetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-(4-Formylphenyl)acetamide {} {} {} {} {} {} {}
MDL NumberMFCD00003380
PubChem Substance ID73942
CAS Number122-85-0
EC Number204-579-2
Beilstein Registry Number387304
Reaxys-RN387304
Chemical Name Translation对乙酰氨基苯甲醛
InChIKeySKLUWKYNZNXSLX-UHFFFAOYSA-N
LabNetwork Molecule IDLN00007754
InChIInChI=1S/C9H9NO2/c1-7(12)10-9-4-2-8(6-11)3-5-9/h2-6H,1H3,(H,10,12)
Canonical SMILESO=CC1=CC=C(NC(C)=O)C=C1
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; amide; aldehyde; 1fragment
  • {SNA} Aldehydes, Building Blocks, C9, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks
  • Aldehydes, Building Blocks, C9, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks

相关文献及参考

  • Beil. 14 ,IV,71
  • FT-IR 1 (2), 361:A / FT-IR 2 (2), 2978:A / FT-NMR 1 (2), 1371:B / IR-Spectra (3), 1071:E / IR-Spectra (2), 937:A / NMR-Reference 2 (2), 338:D / RegBook 1 (2), 2003:M / Structure Index 1 , 320:B:3
  • Short: IV/20C Title: Vapor Pressure and Antoine Coefficients for Nitrogen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20C Year: 2001 Keyword: organic compounds; vapor pressure ISBN: 3-540-41060-0 ISBN: 978-3-540-41060-7 Internet Resource: DOI:10.1007/b88812 RefComment: VII, 197 pages
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Signal word Warning
GHS Symbol
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R20/22 Harmful by inhalation and if swallowed 吸入和不慎吞咽有害
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P312
  • P302+P352
  • P304+P312
  • P304+P340
  • P305+P351+P338
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P337+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen Air Sensitive {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under
Hazard Codes Xn,Xi Xi
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激

其他信息

  • 图谱信息:对乙酰氨基苯甲醛(122-85-0)红外图谱(IR2) 对乙酰氨基苯甲醛(122-85-0)核磁图( 13 CNMR) 对乙酰氨基苯甲醛(122-85-0)核磁图( 1 HNMR) 对乙酰氨基苯甲醛(122-85-0)红外图谱(IR1) 对乙酰氨基苯甲醛(122-85-0)质谱(MS)
  • 对乙酰氨基苯甲醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A0009 4-乙酰氨基苯甲醛 4-Acetamidobenzaldehyde 25G 924元 2014/06/02 A0009 4-乙酰氨基苯甲醛 4-Acetamidobenzaldehyde 5G 305元 2010/06/21 400020250 对乙酰氨基苯甲醛 4-Acetamidobenzaldehyde 98% 25 GR 1202元
  • 下游产品:氨硫脲
  • Acros Organics:对乙酰氨基苯甲醛 4-Acetamidobenzaldehyde, 97%(122-85-0)
  • 用途一:用作医药中间体
  • 敏感性:Air Sensitive
  • Alfa Aesar:4-乙酰胺基苯甲醛,98% 4-Acetamidobenzaldehyde, 98%(122-85-0)
  • 用途二:该品用于医药生产，也是其他有机合成的原料。
  • TCI Shanghai:4-乙酰氨基苯甲醛 4-Acetamidobenzaldehyde,>;98.0%(GC)(122-85-0)
  • Sigma Aldrich:122-85-0(sigmaaldrich)
  • 方法一:由对氨基苯甲醛和乙酐经乙酰化而得。向共沸脱水后的对氨基苯甲醛的苯溶液中加入乙酐，继续蒸馏回收苯，并通水蒸汽将残存的苯蒸出。然后向反应产物加水，用碳酸钠将pH值调到6.8-7，加活性炭于95-100℃脱色，压滤。滤液冷却结晶，甩滤，于60-65℃干燥，得对乙酰氨基苯甲醛。
  • 上游原料:乙酸 --> 硫化钠 --> 4-氨基苯甲醛
  • MOL 文件:122-85-0.mol
  • 海关编码:29242995
  • MSDS 信息:p-Acetylaminobenzaldehyde(122-85-0).msds

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aldehydes - Carbonyl Compounds
  6. C9 - Aldehydes
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aromatic aldehyde<including acetal,hemiacetal>
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aldehydes
  6. C8

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