1,4-Dinitrobenzene 对二硝基苯

CAS 100-25-4 MFCD00007314

化学结构图

100-25-4
SMILES: O=[N+]([O-])c1ccc([N+](=O)[O-])cc1

化学属性

Mol. FormulaC6H4N2O4
Mol. Weight168
Boiling Point183.4 °C/34 mmHg(lit.)
Density1.625 g/mL at 25 °C(lit.)
Melting Point171.0 to 175.0 deg-C
Flash Point150°(302°F)
TSCAYes
Solubility微溶于水,溶于乙醇、乙醚、苯等。

别名和识别编码

Chemical Name1,4-Dinitrobenzene
MDL NumberMFCD00007314
CAS Number100-25-4
Synonym 1,4-DINITROBENZENE p-dinitro-benzen p-Dinitrobenzol Benzene, p-dinitro- Benzene, 1,4-dinitro- p-Dinitrobenzene 1,4-Dinitrobenzol para-dinitrobenzen Dithane a-4 1,4-dinitro-benzen 1,4-Dinitrobenzene Benzene, p-dinitro- 1,4-DINITROBENZENE, 1000MG, NEAT p-dinitrobenzene 1,4-Dinitro-benzol BENZENE,PARA-DINITRO- P-DINITROBENZENE 1,4-dinitro-benzene 1,4-Dinitrobenzene, 98+% Dithane A-4 1,4-二硝基苯 1,4-dinitrobenzene para-Dinitrobenzene 对二硝基苯 nsc3809 benzene,1,4-dinitro- 1,4-DINITROBENZENE OEKANAL, 250 MG 1,4-二硝基苯, 98+% 1,4-DINITROBENZENE, 1X1ML, MEOH, 2000UG/ ML 1,4-Dinitrobenzenn p-dinitrlbinzene para-dinitrobenzene 1,4-dinitrlbenzene dithanea-4 對二硝基苯 benzene, 1,4-dinitro- 1,4-二硝基苯 1,4-dinitrobenzene solution
PubChem Substance ID7492
EC Number202-833-7
Beilstein Registry Number5,261
Merck Number3273
Reaxys-RN1105828
Chemical Name Translation对二硝基苯
Wiswesser Line NotationWNR DNW
LabNetwork Molecule IDLN00241252
InChIInChI=1S/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H
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分类

  • {SNA} Alpha Sort, Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Aromatics, Chemical Class, Chromatography, D, DID - DIN, Environmental Standards, Volatiles/ Semivolatiles
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • {SNA} Building Blocks, Chemical Synthesis, Nitro Compounds, Nitrogen Compounds, Organic Building Blocks

产品应用

  • 用于有机合成。

相关文献及参考

  • Displacement of one activated nitro-group by phenoxides has been used as a route to hindered diaryl ethers: J. Chem. Soc., Perkin 1, 3229 (1988):
  • Short: II/25D
  • Merck:14,3273
  • Merck:14,3273 Beilstein:5,261
  • Short: II/27B

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H330 Fatal if inhaled 吸入致命
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
  • H310 Fatal in contact with skin 皮肤接触致命
  • H373 May causes damage to organs through prolonged or repeated exposure 长期或频繁接触可能会损伤器官
  • H300 Fatal if swallowed 吞食致命
  • H300+H310+H330
Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
RTECSCZ7525000
Precautionary statements
  • 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。
  • P304+P340+P310
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P302+P350
  • P337+P313
  • P403+P233
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • 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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P301+P310
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • 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。
  • 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。
Signal word Danger
Safety Statements
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置;
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中,参考特别指示/安全收据说明书;
  • 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);
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后,立即用大量…(由生产厂家指定)冲洗;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
Packing GroupII
UN Number 3443 UN3443 UN 3443 6.1/PG 2
Risk Statements
  • R33 Danger of cumulative effects 有累积作用的危险
  • R26/27/28 Very toxic by inhalation, in contact with skin and if swallowed 吸入,皮肤接触及吞食都有剧毒
  • R50/53
  • R34 Causes burns 会导致灼伤
Hazard Codes T+,N
Hazard Class6.1
Storage condition 储存温度2-8℃ 2-8°C
Warnings 危化品目录(2015) 危险化学品
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 50 mg/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - effect, not otherwise specified
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0546024

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 56 mg/kg
TOXIC EFFECTS :
   Blood - methemoglobinemia-carboxyhemoglobin
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 80,31,1944

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - cat
DOSE/DURATION           : 29 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85KYAH "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals",
   11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989 Volume(issue)/page/year:
   11,516,1989

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 5 ug/plate
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 6,727,1985

其他信息

  • 灭火剂:水、二氧化碳、泡沫、1211灭火剂
  • Acros Organics:1,4-二硝基苯 1,4-Dinitrobenzene, 98%(100-25-4)
  • 用途一:用于有机合成。
  • Sigma Aldrich:100-25-4(sigmaaldrich)
  • 类别:易燃固体
  • 急性毒性:口服- 大鼠 LDL0: 50 毫克/ 公斤; 腹腔-大鼠 LD50: 56 毫克/公斤
  • 职业标准:TWA 1 毫克/立方米; STEL 3 毫克/立方米
  • TCI Shanghai:1,4-二硝基苯 1,4-Dinitrobenzene,>;99.0%(GC)(100-25-4)
  • MOL 文件:100-25-4.mol
  • 毒性分级:高毒
  • 可燃性危险特性:遇明火、高温、氧化剂易燃; 燃烧产生有毒氮氧化物烟雾
  • 外观性质:黄色结晶,有挥发性。
  • 方法一:由对硝基苯胺经下列步骤制得。将对硝基苯胺溶解在氟硼酸溶液中,用冰浴冷却。搅拌下滴加亚硝酸钠水溶液,加完后搅拌几分钟,吸滤。将所得重氮氟硼酸盐依次用冷氟硼酸、95%乙醇、乙醚洗涤,再与水配成悬浮液。将悬浮液在搅拌下慢慢加入亚硝酸钠水溶液和铜粉的混合物中。加完后过滤,依次用水、稀氢氧化钠溶液、水洗涤结晶。于110℃干燥。磨成粉末后用苯煮沸提取,将提取液蒸馏,回收苯后的剩余物用冰醋酸结晶,即得对二硝基苯。收率67-82%。
  • 对二硝基苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D0819 1,4-二硝基苯 1,4-Dinitrobenzene 5G 456元 2010/06/21 408650250 对二硝基苯 1,4-Dinitrobenzene 98% 25 GR 1912元 2010/06/21 408650050 对二硝基苯 1,4-Dinitrobenzene 98% 5 GR 477元
  • 爆炸物危险特性:与氧化剂混合可爆; 受冲击可爆炸
  • 下游产品:间苯二胺 --> 1,3-二硝基苯
  • 溶于苯、丙酮、乙酸、甲苯、乙酸乙酯,微溶于乙醇、氯仿,不溶于水。能随水蒸气挥发,能升华。
  • 储运特性:库房通风低温干燥; 防冲击; 与氧化剂分开存放
  • MSDS 信息:1,4-二硝基苯(100-25-4).msds
  • 上游原料:铜 --> 氟硼酸 --> 4-硝基苯胺
  • Alfa Aesar:1,4-二硝基苯,98+% 1,4-Dinitrobenzene, 98+%(100-25-4)

系列性分类


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