2-Chloro-4-nitrobenzoic Acid 2-氯-4-硝基苯甲酸

CAS 99-60-5 MFCD00007209

化学结构图

99-60-5
SMILES: O=C(O)c1ccc([N+](=O)[O-])cc1Cl

化学属性

Mol. FormulaC7H4ClNO4
Mol. Weight201.56
Density1.422
Melting Point136-140°C
TSCAYes
Solubility1 G/L (20 ºC)
Appearance 白色或淡黄色针状或粉状结晶。熔点142-143℃(139-141℃)。溶于热水、醇及热苯。
RedoxOxidation
Boiling Point160.5 °C at 760 mmHg

别名和识别编码

Chemical Name2-Chloro-4-nitrobenzoic Acid
CAS Number99-60-5
Alfabeta NameCHLORONITROBENZOICACID 24---
MDL NumberMFCD00007209
EC Number202-771-0
Beilstein Registry Number1912836
Synonym 2-Chloro-4-nitrobenzoic acid {LY} 2-Chloro-4-nitrobenzoic acid {} {LY} 2-Chloro-4-nitrobenzoic acid {} {} {LY} 2-Chloro-4-nitrobenzoic acid {} {} {} {LY} 2-Chloro-4-nitrobenzoic acid {} {} {} {} {LY} 2-Chloro-4-nitrobenzoic acid {} {} {} {} {} {LY} 2-Chloro-4-nitrobenzoic acid {} {} {} {} {} {} {LY} 2-Chloro-4-nitrobenzoic acid {} {} {} {} {} {} {} {LY} 2-Chloro-4-nitrobenzoic acid {} {} {} {} {} {} {} {} {LY} 2-Chloro-4-nitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-4-nitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-4-nitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-4-nitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-4-nitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-4-nitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-4-nitrobenzoic acid {} {} {} {} {} {} {}
PubChem Substance ID87565836
Reaxys-RN1912836
Chemical Name Translation2-氯-4-硝基苯甲酸
InChIKeyQAYNSPOKTRVZRC-UHFFFAOYSA-N
Wiswesser Line NotationWNR CG DVQ
LabNetwork Molecule IDLN00008677
InChIInChI=1S/C7H4ClNO4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,(H,10,11)
Canonical SMILESO=C(O)C1=CC=C([N+]([O-])=O)C=C1Cl
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分类

  • {SNA} Building Blocks, C7, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; carboxylic acid; 1fragment

相关文献及参考

  • Short: EINECS
  • Short: III/20a
  • Short: III/39

安全信息

Warnings IRRITANT
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
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
Precautionary statements
  • 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。
  • 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。
  • P302+P350
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+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
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
RTECSDG5425000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 刺激数据:眼睛-兔 0.25 毫克/24小时
  • 图谱信息:2-氯-4-硝基苯甲酸(99-60-5)红外图谱(IR3) 2-氯-4-硝基苯甲酸(99-60-5)红外图谱(IR2) 2-氯-4-硝基苯甲酸(99-60-5)质谱(MS) 2-氯-4-硝基苯甲酸(99-60-5)红外图谱(IR1) 2-氯-4-硝基苯甲酸(99-60-5)核磁图( 13 CNMR) 2-氯-4-硝基苯甲酸(99-60-5)Raman光谱
  • 用途二:药物利凡诺的中间体,也可用作消毒防腐药。
  • 类别:有毒物质
  • TCI Shanghai:2-氯-4-硝基苯甲酸 2-Chloro-4-nitrobenzoic Acid,>;97.0%(GC)(T)(99-60-5)
  • 上游原料:二氧化锰 --> 碘 --> 三氯化铁 --> 4-硝基甲苯 --> 2-氯-4-硝基甲苯 --> 铁丝
  • 下游产品:依沙吖啶
  • 2-氯-4-硝基苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0764 2-氯-4-硝基苯甲酸 2-Chloro-4-nitrobenzoic Acid 500G 870元 2014/06/02 C0764 2-氯-4-硝基苯甲酸 2-Chloro-4-nitrobenzoic Acid 25G 156元 2010/06/21 109655000 2-氯-4-硝基苯甲酸 2-Chloro-4-nitrobenzoic acid 98% 500 GR 812元
  • Acros Organics:2-氯-4-硝基苯甲酸 2-Chloro-4-nitrobenzoic acid, 98%(99-60-5)
  • 可燃性危险特性:可燃, 燃烧时分解有毒氯化物, 氮氧化物气体
  • 用途一:用作医药中间体,用于生产药物利凡诺
  • Alfa Aesar:2-氯-4-硝基苯甲酸,98% 2-Chloro-4-nitrobenzoic acid, 98%(99-60-5)
  • Sigma Aldrich:99-60-5(sigmaaldrich)
  • MOL 文件:99-60-5.mol
  • 海关编码:29163900
  • 灭火剂:水, 二氧化碳, 干粉, 砂土
  • 方法一:由对硝基甲苯经氯化、氧化而得。将对硝基甲苯投入干燥的反应器中,加热熔融后,加入铁丝和碘片,于58-62℃,通入等摩尔量氯气,经热水洗涤、碳酸钠中和后,倒入冰水中,搅拌析出结晶,过滤去水,阴干得2-氯-4-硝基甲苯。再将25倍1-2%氢氧化钠液加入2-氯-4-硝基甲苯中,加热至沸腾,于激烈搅拌下,缓缓加入高锰酸钾,保持温度在100±1℃,加完后,继续搅拌,回流30min,放冷,分去二氧化锰。滤液用盐酸调至pH为1-2,沉淀用冰水洗涤,过滤后,于80℃干燥而得产品。氯化操作也可以在三氯化铁存在下进行,仍然在58-62℃通氯。氯化、氧化的总收率约为70%。
  • 储运特性:库房低温, 通风, 干燥
  • MSDS 信息:2-Chloro-4-nitrobenzoic acid(99-60-5).msds

系列性分类


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