2-Chlorobenzoic acid 2-氯苯甲酸

CAS 118-91-2 MFCD00002412

化学结构图

118-91-2
SMILES: O=C(O)c1ccccc1Cl

化学属性

Mol. FormulaC7H5ClO2
Mol. Weight156.57
Melting Point138-140°C
Density1.544
Flash Point173°(343°F)
TSCAYes
Boiling Point285 °C at 760 mmHg
Solubility溶于热水

别名和识别编码

Chemical Name2-Chlorobenzoic acid
CAS Number118-91-2
Synonym 2-Chlorobenzoic acid {LY} 2-Chlorobenzoic acid {} {LY} 2-Chlorobenzoic acid {} {} {LY} 2-Chlorobenzoic acid {} {} {} {LY} 2-Chlorobenzoic acid {} {} {} {} {LY} 2-Chlorobenzoic acid {} {} {} {} {} {LY} 2-Chlorobenzoic acid {} {} {} {} {} {} {LY} 2-Chlorobenzoic acid {} {} {} {} {} {} {} {LY} 2-Chlorobenzoic acid {} {} {} {} {} {} {} {} {LY} 2-Chlorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chlorobenzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 2-Chlorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chlorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chlorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chlorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chlorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chlorobenzoic acid {} {} {} {} {} {}
MDL NumberMFCD00002412
PubChem Substance ID87565808
EC Number204-285-4
Beilstein Registry Number9,334
Merck Number2124
Reaxys-RN907340
Chemical Name Translation2-氯苯甲酸
Wiswesser Line NotationQVR BG
LabNetwork Molecule IDLN00196378
InChIInChI=1S/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
Canonical SMILESO=C(O)C1=CC=CC=C1Cl
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分类

  • {SNA} Building Blocks, C7, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {Chemicalbook} 农药中间体: 杀菌剂中间体: 其他类杀菌剂
  • Aromatics
  • {SA} Building Blocks, C7, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; carboxylic acid; 1fragment

产品应用

  • 邻氯苯甲酸是碱量法和碘量法的标准试剂。

相关文献及参考

  • Fiorentino, A., et al.: J. Agric.Food Chem., 51, 1005 (2003),
  • The Ullmann-Goldberg reaction with anilines to give diarylamines can be carried out with Cu powder in water: Synth. Commun., 23, 1447 (1993). The reaction in DMF has been shown to be greatly accelerated by ultrasonic irradiation: Synth. Commun., 19, 2077 (1989). Ullmann-Goldberg reaction with phenols to give diaryl ethers gives improved results with pyridine as a co-catalyst: Synth. Commun., 25, 1077 (1995).
  • Short: II/27B
  • Short: III/20b
  • Moore, D., et al.: Environ. Toxicol. Chem., 16, 794 (1997),
  • Merck: 14,2124
  • Zhao, Y., et al.: Sci. Total Environ., 216, 205 (1998),
  • Merck: 14,2124 Beilstein: 9,IV,956

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H315 Causes skin irritation 会刺激皮肤
  • H316 Causes mild skin irritation 会轻微的刺激皮肤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • 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
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSDG4976000
Precautionary statements
  • 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。
  • 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。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • 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
  • P301+P330+P331
  • P302+P350
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P303+P361+P353
  • P304+P312
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • 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)。
  • P322 Specific measures (see …on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P333+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
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
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;
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护;
Risk Statements
  • R36 Irritating to eyes 刺激眼睛
Hazard Codes Xi
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           : 2300 mg/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            : LD - Lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NCNSA6 National Academy of Sciences, National Research Council,
   Chemical-Biological Coordination Center, Review.  (Washington, DC)
   Volume(issue)/page/year: 5,18,1953

其他信息

  • 防护措施:有毒,其毒性及防护参见“苯甲酸”。小鼠皮下注射LD50为1200mg/kg。
  • 可燃性危险特性:热分解排出有毒氯化物烟雾
  • 用途二:是医药、农药的中间体,主要用于制备氯丙嗪、抗炎灵、双氯灭痛等药物,还用于染料及彩色胶片
  • 储运特性:库房低温通风干燥
  • 2-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 30039080 2-氯苯甲酸;邻氯苯甲酸 25g 28元 2011/08/23 30039024 2-氯苯甲酸;邻氯苯甲酸 25g 29.6元 2011/04/16 C0133 2-氯苯甲酸 2-Chlorobenzoic Acid 500G 509元
  • 毒性分级:低毒
  • 外观性质:白色粗粉末, 易升华。
  • 方法二:1.以苯酐为原料与氢氧化钠和氨水进行酰胺化和降解反应而制得邻氨基苯甲酸,然后用亚硝酸钠,盐酸进行重氮化,再用氯化亚铜,盐酸置换而制得邻氯苯甲酸粗品,经精制后得成品。2.邻氯甲苯直接氧化制得。3.邻氯甲苯氯化水解制得。
  • Hazard Note:Irritant
  • 刺激数据:皮肤-兔 500
  • 上游原料:氢氧化钠 --> 盐酸 --> 亚硝酸钠 --> 氯 --> 氯化亚铜 --> 次氯酸钠 --> 硫酸铜 --> 邻氨基苯甲酸 --> 偶氮二异丁腈 --> 硝酸钠 --> 氢氧化钡 --> 硫酸铜五水合物 --> 2-氯甲苯 --> 氢氧化钡(八水) --> 邻氯苯甲酰氯 --> 亚硝酸 --> 盐酸亚
  • 用途三:邻氯苯甲酸是杀菌剂氟苯嘧啶醇,杀虫剂灭幼脲、杀铃脲,杀螨剂四螨嗪的中间体。
  • 方法一:其制备方法有以下两种。 邻氯甲苯氯化水解法 邻氯甲苯置于反应釜中,用紫外灯光照,反应温度100℃,通入氯气进行氯化反应,加深氯化反应深度使生成α,α,α,2-四氯甲苯,或用邻氯甲苯为原料,以偶氮二异丁腈为催化剂进行氯化,亦可得到α,α,α,2-四氯甲苯,然后将上述产物移入水解釜,加入少许酸使其水解生成邻氯苯甲酰氯,水解深度大则可得2-氯苯甲酸。 邻氨基苯甲酸重氮化法 以邻氨基苯甲酸为原料加入盐酸、亚硝酸钠进行重氮化,然后在重氮液中加入Cu 2 C
  • Sigma Aldrich:118-91-2(sigmaaldrich)
  • 海关编码:29163900
  • Alfa Aesar:2-氯苯甲酸,98+% 2-Chlorobenzoic acid, 98+%(118-91-2)
  • 类别:有毒物质
  • 用途一:用作染料中间体及胶水、油漆的防腐剂, 也用于制造杀菌剂和
  • 用途五:邻氯苯甲酸是碱量法和碘量法的标准试剂。
  • 用途四:染料、农药、医药的中间体,用于制造氯丙嗪、抗炎灵等药物,用作胶粘剂及涂料的防腐剂及有机合成的原料,还可用于染料及彩色胶片。也可用作杀菌剂。邻氯苯甲酸是碱量法和碘量法的标准试剂。
  • 检测方法:T,NMR
  • 图谱信息:2-氯苯甲酸(118-91-2)红外图谱(IR3) 2-氯苯甲酸(118-91-2)红外图谱(IR1) 2-氯苯甲酸(118-91-2)核磁图( 1 HNMR) 2-氯苯甲酸(118-91-2)质谱(MS) 2-氯苯甲酸(118-91-2)Raman光谱 2-氯苯甲酸(118-91-2)核磁图( 13 CNMR) 2-氯苯甲酸(118-91-2)红外图谱(IR2)
  • 下游产品:邻氯苯甲酰氯 --> 灭幼脲 --> 氟灭酸 --> 克霉唑 --> 盐酸氯氨酮 --> 氯代(邻氯苯基)二苯基甲烷 --> 双氯芬酸钠 --> (2-氯苯基)二苯基甲醇 --> 氯氨酮相关物质A --> 吖啶酮 --> 邻氯苯基环戊基酮 --> 邻氯苯腈 --> 2-氯二苯甲酮 --> 2-氯-5-硝基苯甲酸 --> 邻氯苯甲酸乙酯 --> 氯灭酸 --> 间氯二苯胺 --> 甲氯芬那酸 --> 环酯草醚
  • 灭火剂:水,二氧化碳, 泡沫, 干粉
  • {Chemicalboo

系列性分类


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