3-Nitrobenzoic acid 间硝基苯甲酸

CAS 121-92-6 MFCD00007251

化学结构图

121-92-6
SMILES: O=C(O)c1cccc([N+](=O)[O-])c1

化学属性

Mol. FormulaC7H5NO4
Mol. Weight167.12
Melting Point139-141°C
Density1.49
TSCAYes
Solubility<0.01 G/100 ML AT 18 ºC
Flash Point190°C
Stability对湿度敏感
Boiling Point295.67 °C at 760 mmHg

别名和识别编码

Chemical Namem-Nitrobenzoic Acid
Synonym 3-Nitrobenzoic acid {LY} 3-Nitrobenzoic acid {} {LY} 3-Nitrobenzoic acid {} {} {LY} 3-Nitrobenzoic acid {} {} {} {LY} 3-Nitrobenzoic acid {} {} {} {} {LY} 3-Nitrobenzoic acid {} {} {} {} {} {LY} 3-Nitrobenzoic acid {} {} {} {} {} {} {LY} 3-Nitrobenzoic acid {} {} {} {} {} {} {} {LY} 3-Nitrobenzoic acid {} {} {} {} {} {} {} {} {LY} 3-Nitrobenzoic acid {} {} {} {} {} {} {} {} {} {LY} 3-Nitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Nitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Nitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Nitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Nitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Nitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Nitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00007251
CAS Number121-92-6
EC Number204-508-5
Merck Number6588
Beilstein Registry Number908644
PubChem Substance ID8497
Reaxys-RN908644
Chemical Name Translation间硝基苯甲酸
Wiswesser Line NotationWNR CVQ
LabNetwork Molecule IDLN00221635
InChIInChI=1S/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)
Canonical SMILESO=C(O)C1=CC=CC([N+]([O-])=O)=C1
信息真实价格透明    资金保障    专业采购外包团队在线服务   
信息真实价格透明    资金保障    专业采购外包团队在线服务   
品牌质保精细包装    现货库存    一流品牌服务   

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

产品应用

  • 金属离子沉淀剂。用于生物碱及金属钍测定。有机微量分析测定碳、氢、氮的标准品。中间体制备。

相关文献及参考

  • Short: II/27B
  • Beilstein:9,376
  • Short: II/27C

安全信息

RTECSDH5000000
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；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
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
  • R33 Danger of cumulative effects 有累积作用的危险
  • R68 Possible risk of irreversible effects 可能有不可挽回的作用的危险
  • R22 Harmful if swallowed 吞咽有害
  • R36/37 Irritating to eyes and respiratory system 对眼睛和呼吸系统有刺激性
GHS Symbol
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
  • P203
  • 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。
  • P264+P265
  • 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。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P301+P312
  • P301+P312+P330
  • P301+P317
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P308+P313
  • 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。
  • P318
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard Codes Xn Xn,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       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 640 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - aggression
REFERENCE :
   CRSBAW Comptes Rendus des Seances de la Societe de Biologie et de Ses
   Filiales.  (SPPIF, B.P.22, F-41353 Vineuil, France)  V.1-    1849-
   Volume(issue)/page/year: 160,1097,1966

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 680 mg/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - lacrimation
   Behavioral - excitement
   Behavioral - aggression
REFERENCE :
   CRSBAW Comptes Rendus des Seances de la Societe de Biologie et de Ses
   Filiales.  (SPPIF, B.P.22, F-41353 Vineuil, France)  V.1-    1849-
   Volume(issue)/page/year: 160,1097,1966

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1820 mg/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - lacrimation
   Behavioral - excitement
   Behavioral - aggression
REFERENCE :
   CRSBAW Comptes Rendus des Seances de la Societe de Biologie et de Ses
   Filiales.  (SPPIF, B.P.22, F-41353 Vineuil, France)  V.1-    1849-
   Volume(issue)/page/year: 160,1097,1966

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1290 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - aggression
REFERENCE :
   CRSBAW Comptes Rendus des S

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 100 ug/plate
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 9(Suppl
   9),1,1987

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Bacillus subtilis
DOSE/DURATION           : 500 ug/disc
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 170,11,1986

Signal word
WGK Germany3

其他信息

  • MOL 文件:121-92-6.mol
  • 海关编码:29163900
  • 溶于丙酮、氯仿、乙醇和乙醚，1g溶于约2ml甲醇、3ml乙醇、2.5ml丙酮、4ml乙醚、18ml氯仿、320ml水。极微溶于苯、水、二硫化碳和石油醚，较多溶于热水。有刺激性。
  • Acros Organics:3-硝基苯甲酸 3-Nitrobenzoic acid, 98%(121-92-6)
  • TCI Shanghai:3-硝基苯甲酸 3-Nitrobenzoic Acid,>;99.0%(GC)(T)(121-92-6)
  • Sigma Aldrich:121-92-6(sigmaaldrich)
  • 下游产品:3-氨基苯甲酸 --> 间硝基苯甲酰氯 --> 间二甲氨基苯甲酸
  • 外观性质:淡黄白色、结晶体。
  • 上游原料:苯甲酸 --> 3-硝基甲苯 --> 苯甲酸甲酯
  • 用途一:用作测定生物碱的试剂等
  • Alfa Aesar:3-硝基苯甲酸,99% 3-Nitrobenzoic acid, 99%(121-92-6)
  • Hazard Note:Irritant
  • MSDS 信息:间硝基苯甲酸(121-92-6).msds
  • 用途四:金属离子沉淀剂。用于生物碱及金属钍测定。有机微量分析测定碳、氢、氮的标准品。中间体制备。
  • 图谱信息:间硝基苯甲酸(121-92-6)质谱(MS) 间硝基苯甲酸(121-92-6)核磁图( 13 CNMR) 间硝基苯甲酸(121-92-6)红外图谱(IR1) 间硝基苯甲酸(121-92-6)红外图谱(IR2)
  • 方法一:工业上用苯甲酸为原料，在硫酸存在下用硝酸钠硝化，收率可达60%。若将苯甲酰用甲醇在硫酸存在下酯化成苯甲酸甲酯，再用混酸硝化，然后水解，用这种方法生产稍麻烦，但收率可接近70%。也可用混酸直接硝化而得。收率在60%左右。
  • 用途二:用作感光材料及医药中间体
  • 间硝基苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30132224 3-硝基苯甲酸;间硝基苯甲酸 25g 18元 2011/04/16 N0154 3-硝基苯甲酸 3-Nitrobenzoic Acid 500G 731元 2011/04/16 N0154 3-硝基苯甲酸 3-Nitrobenzoic Acid 25G 186元
  • 用途三:该品为感光材料、功能色素、药物的中间体。在医药工业中用来生产胆影酸、醋碘苯酸等。

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
  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. 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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