4-Nitrobenzene-1,2-diamine 4-硝基邻苯二胺

CAS 99-56-9 MFCD00007724

化学结构图

99-56-9
SMILES: Nc1ccc([N+](=O)[O-])cc1N

化学属性

Mol. FormulaC6H7N3O2
Mol. Weight153.14
Melting Point199-201°C
TSCAYes
Density1.446
Solubility1.2 G/L (20 ºC)
Appearance 暗红色针状结晶。熔点201℃，溶于乙醇、丙酮及盐酸溶液，难溶于水。
Boiling Point276.04 °C at 760 mmHg

别名和识别编码

Chemical Name4-Nitrobenzene-1,2-diamine
CAS Number99-56-9
Alfabeta NameNITROPHENYLENEDIAMINE M4---
MDL NumberMFCD00007724
Synonym 4-Nitrobenzene-1,2-diamine {LY} 4-Nitrobenzene-1,2-diamine {} {LY} 4-Nitrobenzene-1,2-diamine {} {} {LY} 4-Nitrobenzene-1,2-diamine {} {} {} {LY} 4-Nitrobenzene-1,2-diamine {} {} {} {} {LY} 4-Nitrobenzene-1,2-diamine {} {} {} {} {} {LY} 4-Nitrobenzene-1,2-diamine {} {} {} {} {} {} {LY} 4-Nitrobenzene-1,2-diamine {} {} {} {} {} {} {} {LY} 4-Nitrobenzene-1,2-diamine {} {} {} {} {} {} {} {} {LY} 4-Nitrobenzene-1,2-diamine {} {} {} {} {} {} {} {} {} {LY} 4-Nitrobenzene-1,2-diamine {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrobenzene-1,2-diamine {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrobenzene-1,2-diamine {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrobenzene-1,2-diamine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrobenzene-1,2-diamine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrobenzene-1,2-diamine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrobenzene-1,2-diamine {} {} {} {} {} {} {} {} {} {}
Beilstein Registry Number608106
PubChem Substance ID87566843
EC Number202-766-3
Reaxys-RN608106
Merck Number6622
Chemical Name Translation4-硝基邻苯二胺
Wiswesser Line NotationZR BZ DNW
LabNetwork Molecule IDLN00173496
InChIInChI=1S/C6H7N3O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,7-8H2
Canonical SMILESNC1=CC=C([N+]([O-])=O)C=C1N
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks, Polyamines
  • Building Blocks, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks, Polyamines

产品应用

  • 主要用于合成药物及合成颜料、染料等。

相关文献及参考

  • Merck: 14,6623 Beilstein:13,29
  • Merck: 14,6623
  • Palmer, K.A. et al.: J. Environ. Pathol. Toxicol., 1, 87 (1977); Yoo, Y.S. et al.: Environ. Mutag. Carcin., 8, 99 (1988);

安全信息

Warnings IRRITANT
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。
  • 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。
  • 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+P330
  • P302+P352+P333+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
WGK Germany3
GHS Symbol
Signal word Warning
Hazard statements
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H302 Harmful if swallowed 吞食有害
Hazard Codes Xn
RTECSST2975000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
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；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • 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；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
  • R68 Possible risk of irreversible effects 可能有不可挽回的作用的危险
UN Number 2811
Packing GroupII
Hazard Class6.1 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 681 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NCILB* Progress Report for Contract No. NIH-NCI-E-C-72-3252, Submitted to
   the National Cancer Institute by Litton Bionetics, Inc.  (Bethesda, MD)
   Volume(issue)/page/year: NCI-E-C-72-3252,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 681 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NCILB* Progress Report for Contract No. NIH-NCI-E-C-72-3252, Submitted to
   the National Cancer Institute by Litton Bionetics, Inc.  (Bethesda, MD)
   Volume(issue)/page/year: NCI-E-C-72-3252,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >1600 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JTEHD6 Journal of Toxicology and Environmental Health.  (Hemisphere Pub.,
   1025 Vermont Ave., NW, Washington, DC 20005)  V.1-    1975/76-
   Volume(issue)/page/year: 2,657,1977

TYPE OF TEST            : Unscheduled DNA synthesis
TEST SYSTEM             : Rodent - rat Liver
DOSE/DURATION           : 500 ug/L
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    1987-  Volume(issue)/page/year:
   26,147,1995

TYPE OF TEST            : Sex chromosome loss and nondisjunction
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Insect - Drosophila melanogaster
DOSE/DURATION           : 1200 umol/L/3D
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 48,181,1977

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Rodent - mouse Lymphocyte
DOSE/DURATION           : 104 umol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 203,155,1988

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 10 mg/L
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   South

TYPE OF TEST            : Sex chromosome loss and nondisjunction
ROUTE OF EXPOSURE       : Parenteral
TEST SYSTEM             : Insect - Drosophila melanogaster
DOSE/DURATION           : 5 mmol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 56,31,1977

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Lung
DOSE/DURATION           : 40 mg/L
REFERENCE :
   GMCRDC Gann Monograph on Cancer Research.  (Plenum Pub. Corp., 233 Spring
   St., New York, NY 10013) No. 11-    1971-  Volume(issue)/page/year:
   27,95,1981

TYPE OF TEST

{h

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 7680 mg/kg
SEX/DURATION            : female 6-15 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured
   before birth)
REFERENCE :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume(issue)/page/year: 24,253,1981

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 3 gm/kg
SEX/DURATION            : male 30 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
   SheCW# Personal Communication from C.W. Sheu, Genetic Toxicology Branch,
   FDA, Mar. 25, 1977  Volume(issue)/page/year: 25MAR1977

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 2560 mg/kg
SEX/DURATION            : female 6-15 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
   Reproductive - Specific Developmental Abnormalities - craniofacial
   (including nose and tongue)
   Reproductive - Specific Developmental Abnormalities - cardiovascular
   (circulatory) system
REFERENCE :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume(issue)/page/year: 19,37A,1979

Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 急性毒性:口服-大鼠LD50: 681 毫克/公斤; 口服-小鼠LD50: 681 毫克/公斤
  • Acros Organics:4-硝基-1,2-苯二胺 4-Nitro-o-phenylenediamine, 98%(99-56-9)
  • 储运特性:库房通风低温干燥
  • 用途二:用于合成α-酮酸；检测硒的试剂。
  • 上游原料:活性炭(脱色) --> 2,4-二硝基苯胺
  • Alfa Aesar:4-硝基邻苯二胺,97% 4-Nitro-o-phenylenediamine, 97%(99-56-9)
  • 毒性分级:中毒
  • TCI Shanghai:4-硝基-1,2-苯二胺 4-Nitro-1,2-phenylenediamine,>;97.0%(GC)(T)(99-56-9)
  • 溶解度: 1.2 g/l水 (20°C) ，20 g/l 丙酮 (20°C)。溶于盐酸水溶液。
  • 海关编码:29215119
  • MSDS 信息:3,4-Diaminonitrobenzene(99-56-9).msds
  • 用途一:主要用于合成药物及合成颜料、染料等
  • Sigma Aldrich:99-56-9(sigmaaldrich)
  • 灭火剂:干粉、泡沫、砂土、二氧化碳, 雾状水
  • 图谱信息:4-硝基邻苯二胺(99-56-9)质谱(MS) 4-硝基邻苯二胺(99-56-9)红外图谱(IR1) 4-硝基邻苯二胺(99-56-9)核磁图( 13 CNMR) 4-硝基邻苯二胺(99-56-9)核磁图( 1 HNMR) 4-硝基邻苯二胺(99-56-9)红外图谱(IR2)
  • 方法一:将23.8g2,4-二硝基苯胺、240ml95%乙醇及120ml浓氨水的混合物加热到45℃，搅拌下通入硫化氢气体，维持在45-55℃反应。反应毕，冷却，析出4-硝基邻苯二胺。将过滤得到的粗品溶于盐酸，加活性炭脱色，趁热过滤，滤液用浓氨水中和，过滤，水洗，干燥，即得成品，收率52-58%。
  • 4-硝基邻苯二胺价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D0103 4-硝基-1,2-苯二胺 4-Nitro-1,2-phenylenediamine 500G 1140元 2014/06/02 D0103 4-硝基-1,2-苯二胺 4-Nitro-1,2-phenylenediamine 25G 196元 2010/06/21 148845000 4-硝基邻苯二胺 4-Nitro-o-phenylenediamine 98% 500 GR 2579元
  • MOL 文件:99-56-9.mol
  • 下游产品:5-氨基-2-巯基苯并咪唑 --> 5-溴-6-异硫氰酸喹喔啉 --> 6-氨基-5-溴喹喔啉 --> 2-巯基-5-硝基苯并咪唑 --> 6-氨基喹喔啉
  • 可燃性危险特性:可燃;燃烧产生有毒氮氧化物烟雾
  • 类别:有毒物品

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. Nitrogen Compounds 氮化合物
  5. Polyamines - Nitrogen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Oximes

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