5-Chlorosalicylic Acid 5-氯水杨酸

CAS 321-14-2 MFCD00002457

化学结构图

321-14-2
SMILES: O=C(O)c1cc(Cl)ccc1O

化学属性

Mol. FormulaC7H5ClO3
Mol. Weight172.56
Density1.536
Melting Point171-176°C
TSCAYes
Solubility1 G/L (20 ºC)
Appearance 白色结晶性粉末。熔点173-174℃（172℃，174-176℃）。溶于热水，难溶于冷水，易溶于乙醇、乙醚、苯、氯仿和乙酸。与氯化铁作用呈红紫色。
Boiling Point320.5°C at 760 mmHg

别名和识别编码

Chemical Name5-Chlorosalicylic Acid
Synonym 5-Chloro-2-hydroxybenzoic acid {LY} 5-Chloro-2-hydroxybenzoic acid {} {LY} 5-Chloro-2-hydroxybenzoic acid {} {} {LY} 5-Chloro-2-hydroxybenzoic acid {} {} {} {LY} 5-Chloro-2-hydroxybenzoic acid {} {} {} {} {LY} 5-Chloro-2-hydroxybenzoic acid {} {} {} {} {} {LY} 5-Chloro-2-hydroxybenzoic acid {} {} {} {} {} {} {LY} 5-Chloro-2-hydroxybenzoic acid {} {} {} {} {} {} {} {LY} 5-Chloro-2-hydroxybenzoic acid {} {} {} {} {} {} {} {} {LY} 5-Chloro-2-hydroxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Chloro-2-hydroxybenzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 5-Chloro-2-hydroxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Chloro-2-hydroxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Chloro-2-hydroxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Chloro-2-hydroxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number321-14-2
EC Number206-283-9
Beilstein Registry Number2046665
MDL NumberMFCD00002457
PubChem Substance ID87565441
Alfabeta NameCHLOROHYDROXYBENZOICACID 52---
Chemical Name Translation5-氯水杨酸
Reaxys-RN2046665
Wiswesser Line NotationQVR BQ EG
LabNetwork Molecule IDLN00177294
InChIInChI=1S/C7H5ClO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
Canonical SMILESO=C(O)C1=CC(Cl)=CC=C1O
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分类

  • {SNA} Building Blocks, C7, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {SNA} Bioactive Small Molecules, Building Blocks, C-CH, C7, Carbonyl Compounds, Carboxylic Acids, Cell Biology, Chemical Synthesis, Organic Building Blocks
  • {SNA} Bioactive Small Molecules, Building Blocks, C-CH, C7, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks, 细胞生物学
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; carboxylic acid; alcohol; 1fragment

产品应用

  • 染料、医药的中间体。

相关文献及参考

  • Short: EINECS
  • Beilstein:10,102
  • Short: III/5a

安全信息

Signal word Danger
GHS Symbol
WGK Germany3
Safety Statements
  • 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；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • 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；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
Precautionary statements
  • 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。
  • 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+P310
  • P301+P310+P330
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+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
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
RTECSVO2080000
Packing GroupIII
UN Number 2811 UN 2811 6.1/PG 3
Hazard Codes 6.1 Xn
Warnings IRRITANT
Hazard Class6.1 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 250 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PHMGBN Pharmacology: International Journal of Experimental and Clinical
   Pharmacology.  (S. Karger AG, Postfach CH-4009 Basel, Switzerland)  V.1-
   1968-  Volume(issue)/page/year: 9,164,1973

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 250 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CBCCT* "Summary Tables of Biological Tests," National Research Council
   Chemical-Biological Coordination Center.  (National Academy of Science
   Library, 2101 Constitution Ave., NW, Washington, DC 20418)
   Volume(issue)/page/year: 7,792,1955

Storage condition 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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 5-氯代水杨酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010185 5-氯水杨酸;5-氯-2-羟基苯甲酸 100g 85元 2011/04/16 C0287 5-氯水杨酸 5-Chlorosalicylic Acid 25G 158元 2011/04/16 C0287 5-氯水杨酸 5-Chlorosalicylic Acid 500G 873元
  • 用途二:染料、医药的中间体。
  • 白色结晶性。溶于热水，难溶于冷水，易溶于乙醇、乙醚、苯、氯仿和乙酸。与氯化铁作用呈红紫色。水溶性1 g/L (20°C)。
  • 海关编码:29182990
  • MOL 文件:321-14-2.mol
  • Sigma Aldrich:321-14-2(sigmaaldrich)
  • 方法一:将氯苯加入搪瓷锅蒸去水分至0.03%以下，投入水杨酸，在110±2℃均匀通氯至预定量。取样观察冷至30℃的析出物，过滤，测熔点，以167-175℃为合格，即得5-氯水杨酸的氯苯溶液。如果氯化反应在日光灯照射下进行，则在55-80℃能氯至理论量，取样检测合格后，排除剩余氯，冷却，过滤，用氯苯洗涤，干燥，即得成品。
  • 图谱信息:5-氯代水杨酸(321-14-2)Raman光谱 5-氯代水杨酸(321-14-2)红外图谱(IR1) 5-氯代水杨酸(321-14-2)核磁图( 13 CNMR) 5-氯代水杨酸(321-14-2)红外图谱(IR2) 5-氯代水杨酸(321-14-2)质谱(MS)
  • Alfa Aesar:5-氯水杨酸,99% 5-Chlorosalicylic acid, 99%(321-14-2)
  • 下游产品:溴替尼持 --> 5-氯-2-甲氧基苯甲酰氯 --> 4-[2-(5-氯-2-甲氧基苯甲酰氨基)乙基]苯磺酰胺 --> 5-氯-2-甲氧基苯甲酸 --> 5-氯-2-羟基苯甲酸甲酯 --> 氯硝柳胺
  • MSDS 信息:5-Chloro-2-hydroxybenzoic acid(321-14-2).msds
  • Acros Organics:5-氯水杨酸 5-Chlorosalicylic acid, 98%(321-14-2)
  • 用途一:用作农药、医药、染料中间体
  • 上游原料:氯 --> 水杨酸
  • TCI Shanghai:5-氯代水杨酸 5-Chlorosalicylic Acid,>;98.0%(GC)(T)(321-14-2)

系列性分类

  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Bioactive Small Molecules - Cell Biology
  4. C-CH - Bioactive Small Molecules
  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. C7 - 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
  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
  6. C6

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