3-Nitrobenzoic Acid 3-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 Name3-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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {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 Translation3-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
WGK Germany3
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.....
Signal word
Hazard Codes Xn Xn,Xi
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 {} {} {} {} {} {} {} {} {} {} {}
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

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


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