4-Chlorobenzoic acid 4-氯苯甲酸

CAS 74-11-3 MFCD00002531

化学结构图

74-11-3
SMILES: O=C(O)c1ccc(Cl)cc1

化学属性

Mol. FormulaC7H5ClO2
Mol. Weight156.57
Density1.374
Melting Point243 °C
Flash Point127.5±19.8 °C
TSCAYes
Boiling Point274-276°C
Solubility溶于热水
Appearance 本品为白色粉末状固体，m.p.239～241℃，溶于甲醇、无水乙醇及醚，极微溶于水、甲苯和95％乙醇。
Stability对湿度敏感

别名和识别编码

Chemical Name4-Chlorobenzoic acid
CAS Number74-11-3
Alfabeta NameCHLOROBENZOICACID 4-
MDL NumberMFCD00002531
Synonym 4-Chlorobenzoic acid {LY} 4-Chlorobenzoic acid {} {LY} 4-Chlorobenzoic acid {} {} {LY} 4-Chlorobenzoic acid {} {} {} {LY} 4-Chlorobenzoic acid {} {} {} {} {LY} 4-Chlorobenzoic acid {} {} {} {} {} {LY} 4-Chlorobenzoic acid {} {} {} {} {} {} {LY} 4-Chlorobenzoic acid {} {} {} {} {} {} {} {LY} 4-Chlorobenzoic acid {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzoic acid {} {} {} {} {} {} {} {}
EC Number200-805-9
Beilstein Registry Number907196
PubChem Substance ID6318
Merck Number2125
Reaxys-RN907196
Chemical Name Translation4-氯苯甲酸
Wiswesser Line NotationQVR DG
LabNetwork Molecule IDLN00008259
InChIInChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
Canonical SMILESClC1=CC=C(C(O)=O)C=C1
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分类

  • {SNA} Alphabetical Index of Analytical Standards, All alphabetically sorted, Analytical Standards, Analytical/Chromatography, C, CH, Chromatography, Environmental Standards, Pesticides & Metabolites
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; carboxylic acid; 1fragment
  • {SNA} Building Blocks, C7, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • Intermediates
  • Aromatics
  • {Chemicalbook} 农药中间体: 杀菌剂中间体: 吗啉类杀菌剂

产品应用

  • 有机微量分析测定碳、氢、氯的标准样品。

相关文献及参考

  • Kim, J., et al.: Fungal Biology, 114, 817 (2010),
  • Merck: 14,2125
  • Short: II/27B
  • Rep, M., et al.: J. Biol. Chem., 275, 8290 (2000),
  • Short: III/20a
  • Merck: 14,2125 Beilstein:9,340
  • Jaeger, T., et al.: Biofactors, 27, 109 (2006),

安全信息

Warnings IRRITANT
Signal word
GHS Symbol
WGK Germany2
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
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
Precautionary statements
  • 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。
  • 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
  • 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.....
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P301+P312+P330
  • 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。
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSDG4976010
Hazard Codes Xn
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BCFAAI Bollettino Chimico Farmaceutico.  (Societa Editoriale Farmaceutica,
   Via Ausonio 12, 20123 Milan, Italy)  V.33-    1894- Volume(issue)/page/year:
   112,53,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1170 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JAFCAU Journal of Agricultural and Food Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC
   20037)  V.1-    1953-  Volume(issue)/page/year: 21,794,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1170 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JAFCAU Journal of Agricultural and Food Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC
   20037)  V.1-    1953-  Volume(issue)/page/year: 23,724,1975

其他信息

  • 可燃性危险特性:热分解排出有毒氯化物烟雾
  • 灭火剂:水,二氧化碳, 泡沫, 干粉
  • 毒性分级:中毒
  • 储运特性:库房低温通风干燥
  • MSDS 信息:4-Chlorobenzoic acid(74-11-3).msds
  • 用途四:染料、农药、医药的中间体。
  • 用途一:用作医药、农药和染料及有机合成中间体
  • 易溶于甲醇、无水乙醇和乙醚，不溶于水、95%乙醇及甲苯。半数致死量(大鼠，腹腔)1000mg/kg。有刺激性。
  • 上游原料:高锰酸钾 --> 对氯甲苯
  • 下游产品:4-氯苯甲酰氯 --> 4-氯-3-硝基苯甲酸 --> 布美他尼 --> 吗氯贝胺 --> 3-氨基-4-甲氧基苯甲酰苯胺 --> 2-氨基-5-硝基二苯甲酮 --> 4-氯-3,5-二硝基苯甲酸
  • 海关编码:29163900
  • 方法二:由对氯甲苯经氧化而得：将高锰酸钾溶液分次加入对氯甲苯与水的混合物中。在搅拌下回流反应5-6h，再用盐酸酸化至pH为2，过滤得粗品，用乙醇重结晶而得成品。
  • 类别:有毒物质
  • 用途二:用于有机合成
  • Alfa Aesar:4-氯苯甲酸,98+% 4-Chlorobenzoic acid, 98+%(74-11-3)
  • 急性毒性:口服-大鼠 LD50： 1170 毫克/公斤； 口服-小鼠 LD50： 1170 毫克/公斤
  • 方法一:其制备方法是将高锰酸钾溶液分次加入对氯甲苯和水的混合物中，在75～90℃搅拌下回流5～6h，反应毕用盐酸酸化至pH=2，过滤得粗品，乙醇重结晶得成品。
  • Sigma Aldrich:74-11-3(sigmaaldrich)
  • MOL 文件:74-11-3.mol
  • 用途五:有机微量分析测定碳、氢、氯的标准样品。
  • 用途三:对氯苯甲酸是杀菌剂烯酰吗啉，杀鼠剂杀鼠灵、杀鼠醚和杀虫剂氟氯苯菊酯的中间体，也是染料和医药的中间体。
  • TCI Shanghai:4-氯苯甲酸 4-Chlorobenzoic Acid,>;99.0%(GC)(T)(74-11-3)
  • Acros Organics:4-氯苯甲酸 4-Chlorobenzoic acid, 99%(74-11-3)
  • 对氯苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30039224 4-氯苯甲酸;对氯苯甲酸 25g 31元 2011/08/23 L0385701 4-氯苯甲酸　(+4℃) 250g 486元 2011/04/16 C0134 4-氯苯甲酸 4-Chlorobenzoic Acid 25G 186元

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Others 其他杂环
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Others 其他杂环
  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. Carboxylic Acids - Carbonyl Compounds
  6. C7 - Carboxylic Acids
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. C - Alphabetic
  5. CH - C
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. C - Alphabetic
  5. CH - C
  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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