4-Nitrobenzoic acid 对硝基苯甲酸

CAS 62-23-7 MFCD00007352

化学结构图

62-23-7
SMILES: O=C(O)c1ccc([N+](=O)[O-])cc1

化学属性

Mol. FormulaC7H5NO4
Mol. Weight167.12
Density1.61
Melting Point237-240°C
TSCAYes
Solubility<0.1 G/100 ML AT 26 ºC
Stability对湿度敏感
Flash Point237°C
Boiling Point359.1°C at 760 mmHg
pH:A

别名和识别编码

Chemical Name4-Nitrobenzoic acid
Synonym 4-Nitrobenzoic acid {LY} 4-Nitrobenzoic acid {} {LY} 4-Nitrobenzoic acid {} {} {LY} 4-Nitrobenzoic acid {} {} {} {LY} 4-Nitrobenzoic acid {} {} {} {} {LY} 4-Nitrobenzoic acid {} {} {} {} {} {LY} 4-Nitrobenzoic acid {} {} {} {} {} {} {LY} 4-Nitrobenzoic acid {} {} {} {} {} {} {} {LY} 4-Nitrobenzoic acid {} {} {} {} {} {} {} {} {LY} 4-Nitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00007352
CAS Number62-23-7
EC Number200-526-2
Beilstein Registry Number9,389
PubChem Substance ID87573539
Merck Number14,6589
Reaxys-RN973593
Chemical Name Translation对硝基苯甲酸
Wiswesser Line NotationWNR DVQ
LabNetwork Molecule IDLN00193606
InChIInChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)
Canonical SMILESO=C(O)C1=CC=C([N+]([O-])=O)C=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

  • 检验生物碱，标定标准碱溶液。

相关文献及参考

  • Short: II/27B
  • Selective reduction of the carboxyl group to the alcohol can be achieved in 94% yield using Benzyl­triethyl­ammonium borohydride, B24952, in combination with TMS chloride. Esters are unaffected under these conditions: Synth. Commun., 20, 907 (1990). See also, J. Chem. Soc., Chem. Commun., 903 (1989).
  • Short: II/27C
  • Beilstein:9,389

安全信息

Signal word
GHS Symbol
WGK Germany1
Safety Statements
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置；
  • 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；
  • 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
Precautionary statements
  • 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
  • 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。
  • P305+P351+P338
  • 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。
  • P332+P313
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P301+P312+P330
  • P302+P350
  • P337+P313
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P308+P313
  • 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。
  • 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。
  • P305+P351+P338+P337+P313
  • P308+P311
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • P405 Store locked up. 上锁保管。
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H318 Causes serious eye damage 严重伤害眼睛
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSDH5075000
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            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 45063 mg/kg/2Y-C
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Skin and Appendages - tumors
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NTP-TR-442,1994

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 880 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

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1960 mg/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - lacrimation
   Behavioral - convulsions or effect on seizure threshold
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       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1210 mg/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - lacrimation
   Behavioral - convulsions or effect on seizure threshold
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           : 1470 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(

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 1 gm/L
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 9,269,1987

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 875 mg/L
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 9,269,1987

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Bacillus subtilis
DOSE/DURATION           : 50 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

TYPE OF TEST            : Body fluid assay
TEST SYSTEM             : Rodent - rat Bacteria - Salmonella typhimurium
DOSE/DURATION           : 400 mg/kg/4D
REFERENCE :
   PNASA6 Proceedings of the National Academy of Sciences of the United States
   of America.  (National Academy of Sciences, Printing & Pub. Office, 2101
   Constitution Ave., Washington, DC 20418) V.1-    1915-
   Volume(issue)/page/year: 72,4607,1975

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 1 mg/plate
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher informatio

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 100 ug/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 137,71,1984

其他信息

  • 用途四:该品是医药、染料、兽药、感光材料等有机合成的中间体。用于生产盐酸普鲁卡因、普鲁卡因胺盐酸盐，对氨甲基苯甲酸、叶酸、苯佐卡因、退嗽、头孢菌素V、对氨基苯甲酰谷氨酸、贝尼尔，以及生产活性艳红M-8B、活性红紫X-2R以及滤光剂、彩色胶片成色剂、金属表面除锈剂、防晒剂等。
  • 用途五:检验生物碱，标定标准碱溶液。
  • 方法一:由对硝基甲苯氧化而得，氧化剂可采用重铬酸钠、空气、锰矿粉、硝酸
  • TCI Shanghai:4-硝基苯甲酸 4-Nitrobenzoic Acid,>;99.0%(GC)(T)(62-23-7)
  • 用途三:用作化学试剂
  • 对硝基苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30132326 4-硝基苯甲酸;对硝基苯甲酸 100g 35元 2011/04/16 N0156 4-硝基苯甲酸 4-Nitrobenzoic Acid 25G 117元 2011/04/16 N0156 4-硝基苯甲酸 4-Nitrobenzoic Acid 500G 393元
  • 下游产品:对氨基苯甲酸 --> 6-羟甲基喹啉 --> 4-硝基苯甲酰氯 --> 4-氨基苯甲脒二盐酸盐 --> 4-氨基苯甲酸甲酯 --> 4,4’-二脒基重氮氨基苯二乙尿酸 --> 鲨肝醇 --> 對胺苯甲醯胺苯 --> 对氨基苯甲酰胺 --> 奥布卡因盐酸盐 --> 对硝基苯甲腈 --> N-(4-氨基苯甲酰)-L-谷氨酸 --> 丁胺卡因 --> 对氨基苯甲酸异丙酯 --> 盐酸普鲁卡因 --> 3,4-二氨基苯甲酸 --> 4-氨基邻苯二甲酸 --> 对硝基苯甲酸乙酯 --> 奴夫卡因 --> 对硝基苯甲酸甲酯
  • 防护措施:有毒。对皮肤有刺激性。其钠盐的小鼠LD10mg/kg。生产设备要密闭，防止泄漏。操作人员应穿戴防护用具。
  • Sigma Aldrich:62-23-7(sigmaaldrich)
  • 用途二:用于制麻醉剂盐酸普鲁卡因和染料中间体，也可制取滤光剂
  • MOL 文件:62-23-7.mol
  • 上游原料:重铬酸钠 --> 4-硝基甲苯 --> 氯霉素 --> 锰矿粉 --> 1-对硝基苯基-2-氨基-1,3-丙二醇
  • Acros Organics:4-硝基苯甲酸 4-Nitrobenzoic acid, 99+%(62-23-7)
  • 海关编码:29163900
  • 能升华。溶于醇、醚和二甲替甲酰胺，1g溶于2380ml水、110ml乙醇、12ml甲醇、150ml氯仿、45ml乙醚、20ml丙酮。微溶于水、苯和二硫化碳，不溶于石油醚。低毒，半数致死量(大鼠，经口)1960mg/kg。有刺激性。
  • MSDS 信息:对硝基苯甲酸(62-23-7).msds
  • 用途一:用作医药中间体，也是生产染料的原料
  • 常规方法:采用铁桶、纤维板桶或麻袋内衬塑料袋包装。每桶（袋）净重20kg或40kg。贮存在阴凉、通风、干燥处，防热、防晒。按有毒化学品规定贮运。
  • Alfa Aesar:对硝基苯甲酸,99% 4-Nitrobenzoic acid, 99%(62-23-7)
  • 外观性质:黄色结晶粉末, 无臭, 能升华。
  • 方法一:由对硝基甲苯氧化而得，氧化剂可采用重铬酸钠、空气、锰矿粉、硝酸等等。以对硝基甲苯为原料，在硫酸存在下，于55℃以重铬酸钠进行氧化反应，生成对硝基苯甲酸。反应液经过滤、离心脱水、水洗干燥，即得成品。另外，利用氯霉素生产中的右旋物1-对硝基苯基-2-氨基-1,3-丙二醇，很容易用硝酸氧化得到对硝基苯甲酸。
  • 标准值 不确定度 单位

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. 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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