O-Acetylsalicyloyl Chloride 邻乙酰水杨酰氯

CAS 5538-51-2 MFCD00000663

化学结构图

5538-51-2
SMILES: CC(=O)Oc1ccccc1C(=O)Cl

化学属性

Mol. FormulaC9H7ClO3
Mol. Weight199
Refractive indexn20/D 1.536(lit.)
Boiling Point135°C/12mmHg(lit.)
Melting Point48.0 to 52.0 deg-C
Flash Point>110°(230°F)
TSCANo

别名和识别编码

Chemical NameO-Acetylsalicyloyl Chloride
MDL NumberMFCD00000663
CAS Number5538-51-2
PubChem Substance ID87558844
EC Number226-899-1
Beilstein Registry Number10(4)169
Synonym AKOS BBS-00003925 邻乙酰氧基苯甲酰氯 Benzoyl chloride, 2-(acetyloxy)- 2-乙酰氧基苯甲酰氯 ACETYLSALICYLOYL CHLORIDE Acetylsalicyloyl chloride O-乙酰基水杨酰氯 邻乙酰水杨酰氯 o-Acetylsalicoyl chloride 2-Acetoxybenzoyl chloride 2-Acetyloxybenzoic acid chloride O-Acetylsalicyloylchloride,98% Acetylsalicoyl chloride 2-ACETOXYBENZOYL CHLORIDE 2-Acetoxybenzoic acid chloride O-乙酰水杨酰氯 O-ACETYLSALICYLOYL CHLORIDE O-Acetylsalicyloyl chloride 97% O-Acetylsalicylryl chloride ASPIRIN CHLORIDE 乙酰水杨酰氯 2-(Chlorocarbonyl)phenyl acetate 2-Acetoxybenzoyl chlorideAspirin chloride 2-(acetyloxy)-benzoylchlorid 2-ACETYLSALICYLOYL CHLORIDE 2-(acetyloxy)-benzoyl chloride o-Acetylsalicychloride O-Acetoxybenzoylchloride
Reaxys-RN880372
Chemical Name Translation邻乙酰水杨酰氯
InChIKeyDSGKWFGEUBCEIE-UHFFFAOYSA-N
LabNetwork Molecule IDLN00110480
InChIInChI=1S/C9H7ClO3/c1-6(11)13-8-5-3-2-4-7(8)9(10)12/h2-5H,1H3
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分类

  • {SNA} Acid Halides, Building Blocks, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks

相关文献及参考

  • Reagent for the conversion of diols into chloroalkyl acetates: Tetrahedron Lett., 1475 (1973), and for the conversion of pyrimidine nucleosides to their 2,2'-anhydro derivatives: Synthesis, 533 (1976). Compare 2-Acetoxyisobutyryl­ chloride, L00957.

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H290 May be corrosive to metals 可能腐蚀金属。
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H302 Harmful if swallowed 吞食有害
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
  • P303+P361+P353+P310+P363
  • P390 Absorb spillage to prevent material damage. 吸收溢出物，防止重大损害。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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。
  • P405 Store locked up. 上锁保管。
  • P305+P351+P338
  • 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。
  • P304+P340+P310
  • P303+P361+P353
  • P234 Keep only in original container. 只保留在原来的容器中。
  • P305+P351+P338+P310
  • P406 Store in corrosive resistant/… container with a resistant inner liner. 存放在耐腐蚀/具有耐性的内衬容器。
  • 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。
  • P301+P330+P331+P310
Signal word Danger
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）；
Packing GroupII
UN Number UN 3261 8/PG 2 UN3261 3261
Risk Statements
  • R34 Causes burns 会导致灼伤
  • R37 Irritating to respiratory system 刺激呼吸道
  • R22 Harmful if swallowed 吞咽有害
  • R29 Contact with water liberates toxic gas. 遇水释放出有毒气体
Storage condition Moisture Sensitive 0-10 0-10°C Refrigerator
Hazard Codes C C,Xi
Hazard Class8

其他信息

  • 方法一:以乙酰水杨酸为原料，经氯化而得。将1份乙酰水杨酸和0.0055份吡啶加入干燥的反应罐中，控温50℃以下滴加0.91份氯化亚砜。升温至90℃，反应物溶解成黄色时，继续反应2.5h。90-100℃减压蒸去过量的氯化亚砜和吡啶，得邻乙酰氧基苯甲酰氯。收率95%。另一种方法也以乙酰水杨酸和氯化亚砜为原料，但采用无水三氯化铝，在无水苯中反应3h，第一小时50-55℃，第二小时60-65℃，第三小时73-79℃。配料(重量)比为：乙酰水杨酸：氯化亚砜：三氯化铝：苯=1：0.56：0.02：3。收率91%以上。
  • 用途一:用作医药中间体
  • 上游原料:无水苯 --> 邻乙酰水杨酸
  • 用途三:医药中间体,用于生产抗血凝药新抗凝，激素类抗炎药及治疗风温、抗炎、解热镇痛药扑炎痛等。
  • Sigma Aldrich:5538-51-2(sigmaaldrich)
  • 敏感性:Moisture Sensitive
  • 用途二:医药中间体。用于生产抗血凝药新抗凝，激素类抗炎药及治疗风温、抗炎、解热镇痛药扑炎痛等。
  • Hazard Note:Irritant/Corrosive/Moisture Sensitive
  • TCI Shanghai:O-乙酰基水杨酰氯 O-Acetylsalicyloyl Chloride,>;97.0%(LC)(T)(5538-51-2)
  • Acros Organics:邻乙酰水杨酰氯 Acetylsalicyloyl chloride, 98%(5538-51-2)
  • Alfa Aesar:O-乙酰基水杨酰氯,97% O-Acetylsalicyloyl chloride, 97%(5538-51-2)
  • MOL 文件:5538-51-2.mol
  • 下游产品:4-羟基香豆素 --> 4-羟基肉桂酸 --> 2-乙酰氧基苯甲酸-4-乙酰氨基苯酯
  • F:3-10-21

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
  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. Acid Halides 酸性卤化物(酰氯等)

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