4-(Chloromethyl)benzoic acid 对氯甲基苯甲酸

CAS 1642-81-5 MFCD00002568

化学结构图

1642-81-5
SMILES: O=C(O)c1ccc(CCl)cc1

化学属性

Mol. FormulaC8H7ClO2
Mol. Weight171
Melting Point201-202°C
TSCANo
Density1.422
Appearance 针状体结晶。熔点205℃（199-201℃）。溶于乙醚、热乙醇和热水。
Stability对湿度敏感
Boiling Point317.7°C at 760 mmHg

别名和识别编码

Chemical Name4-(Chloromethyl)benzoic acid
Synonym 4-(Chloromethyl)benzoic acid {LY} 4-(Chloromethyl)benzoic acid {} {LY} 4-(Chloromethyl)benzoic acid {} {} {LY} 4-(Chloromethyl)benzoic acid {} {} {} {LY} 4-(Chloromethyl)benzoic acid {} {} {} {} { {} {} {} {} {LY} 4-(Chloromethyl)benzoic acid {} {} {} {} {} {LY} 4-(Chloromethyl)benzoic acid {} {} {} {} {} {} {LY} 4-(Chloromethyl)benzoic acid {} {} {} {} {} {} {} {LY} 4-(Chloromethyl)benzoic acid {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} 4-(Chloromethyl)benzoic acid {} {} {} {} {} {} {} {} {} {LY} 4-(Chloromethyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 4-(Chloromethyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Chloromethyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Chloromethyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Chloromethyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Chloromethyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number1642-81-5
EC Number216-697-1
Beilstein Registry Number9(4)1743
MDL NumberMFCD00002568
PubChem Substance ID74234
Reaxys-RN1907970
Chemical Name Translation对氯甲基苯甲酸
InChIKeyOITNBJHJJGMFBN-UHFFFAOYSA-N
LabNetwork Molecule IDLN00223026
InChIInChI=1S/C8H7ClO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H,10,11)
Canonical SMILESO=C(O)C1=CC=C(CCl)C=C1
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分类

  • Building Blocks, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {SNA} Building Blocks, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

产品应用

  • 4-(Chloromethyl)benzoic acid was used for the synthesis of dihydroxy stilbene derivatives.

相关文献及参考

  • Beil. 9 ,IV,1743
  • Aldrich MSDS 1 , 415:A / Corp MSDS 1 (1), 799:B / FT-NMR 1 (2), 1078:A / RegBook 1 (2), 1789:J / Structure Index 1 , 285:D:8

安全信息

GHS Symbol
WGK Germany3
Hazard Codes
Hazard statements
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled 吸入可能导致过敏或哮喘症状或呼吸困难
Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
Precautionary statements
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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。
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • P285 In case of inadequate ventilation wear respiratory protection. 在通风不足的情况下，戴呼吸防护。
  • P301+P330+P331
  • P301+P330+P331+P310
  • P302+P361+P354
  • P303+P361+P353
  • P304+P340
  • P304+P340+
  • P304+P341
  • P305+P351+P338
  • P305+P351+P338+P310
  • P305+P354+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P316
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P342+P311
  • P342+P316
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P403 Store in a well-ventilated place. 储存在通风良好的地方。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word
UN Number UN 3261 8/PG 2 1759
Safety Statements
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
  • S22 Do not breathe dust 不要吸入粉尘；
  • S20 When using do not eat or drink 使用时，不得进食，饮水；
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
  • R42/43
  • R34 Causes burns 会导致灼伤
Storage condition 2-8°C {LY} 2-8°C Moisture Sensitive {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Packing GroupIII
Hazard Class8

其他信息

  • 对氯甲基苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C1212 4-（氯甲基）苯甲酸 4-(Chloromethyl)benzoic Acid 25G 737元 2010/06/21 392890500 对氯甲基苯甲酸 4-(Chloromethyl)benzoic acid 98% 50 GR 4173元 2010/05/25 B22275 4-(氯甲基)苯甲酸, 96% 4-(Chloromethyl)benzoic acid, 96% 5g 514元
  • F:19
  • TCI Shanghai:4-氯甲基苯甲酸 4-(Chloromethyl)benzoic Acid,>;98.0%(GC)(T)(1642-81-5)
  • 图谱信息:对氯甲基苯甲酸(1642-81-5)红外图谱(IR1) 对氯甲基苯甲酸(1642-81-5)质谱(MS) 对氯甲基苯甲酸(1642-81-5)核磁图( 13 CNMR) 对氯甲基苯甲酸(1642-81-5)红外图谱(IR2)
  • Alfa Aesar:4-(氯甲基)苯甲酸,96% 4-(Chloromethyl)benzoic acid, 96%(1642-81-5)
  • 用途一:用作医药及染料中间体
  • MOL 文件:1642-81-5.mol
  • Acros Organics:4-(氯甲基)苯甲酸 4-(Chloromethyl)benzoicacid,98%(1642-81-5)
  • Sigma Aldrich:1642-81-5(sigmaaldrich)
  • 下游产品:4-氨甲基苯甲酸
  • 方法一:由对二甲苯氧化、氯化而得。1.催化氧化将对二甲苯和环烷酸钴加入反应锅，升温至90℃通入空气，110-115℃反应20h。冷至室温，过滤，滤饼用对二甲苯洗涤，干燥，得对甲基苯甲酸。2.氯化将氯苯和对甲基苯甲酸加入反应锅，加热至40℃，通入氮气，搅拌均匀。当温度升到60℃停止通氮气，改通氯气，同时光照。1h内温度达110℃，保持在110-115℃继续通氯，共通氯8h，使通氯量超过理论量。然后停氯通氯。排出物料中的氯化氢。停止通氮和加热，于90℃放料，放置过夜，过滤，以少量氯苯洗涤结晶，再以大量水冲洗，滤干，干燥而得成品。
  • 用途二:医药中间体。
  • 敏感性:Moisture Sensitive
  • 上游原料:对二甲苯 --> 对甲基苯甲酸 --> 环烷酸钴

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. Carboxylic Acids - Carbonyl Compounds
  6. C8 - Carboxylic Acids
  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 acids

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