1,3-Dinitrobenzene 1,3-二硝基苯

CAS 99-65-0 MFCD00007222

化学结构图

99-65-0
SMILES: O=[N+]([O-])c1cccc([N+](=O)[O-])c1

化学属性

Mol. FormulaC6H4N2O4
Mol. Weight168.11
Boiling Point297 °C(lit.)
Density1.368 g/mL at 25 °C(lit.)
Melting Point89.0 to 92.0 deg-C
Flash Point150°(302°F)
TSCAYes
Stability对湿度敏感
Solubility500 mg/L (20 °C)

别名和识别编码

Chemical Name1,3-Dinitrobenzene
MDL NumberMFCD00007222
CAS Number99-65-0
PubChem Substance ID7452
EC Number202-776-8
Beilstein Registry Number5,258
Merck Number3273
Synonym 1,3-Dinitrobenzene {LY} 1,3-Dinitrobenzene 1,3-Dinitrobenzol 1,3-dinitro-benzen 1,3-二硝基苯 1,3-二硝基苯, 97%, 99%(DRY WT.), MAY CONT. UP TO CA 5% WAT 1,3-二硝基苯,97% 1,3-硝基苯 1,3-二硝基苯,间二硝基苯 2,4-Dinitrobenzene 3-dinitrobenzene Benzene, 1,3-dinitro- Benzene, m-dinitro- Binitrobenzene Dwunitrobenzen M-DINITROBENZENE M-DinitrobenzeneGr dwunitrobenzen(polish) m-Dinitrobenzene m-dimitrobenzene m-dinitro-benzen m-dnb meta-dinitrobenzene ns {} {LY} 1,3-Dinitrobenzene {} {} {LY} 1,3-Dinitrobenzene {} {} {} {LY} 1,3-Dinitrobenzene {} {} {} {} {LY} 1,3-Dinitrobenzene {} {} {} {} {} {LY} 1,3-Dinitrobenzene {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Dinitrobe
Chemical Name Translation1,3-二硝基苯
Reaxys-RN1105654
Wiswesser Line NotationWNR CNW
LabNetwork Molecule IDLN00226125
InChIInChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H
Canonical SMILESO=[N+]([O-])C1=CC([N+]([O-])=O)=CC=C1
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分类

  • {SNA} Analytical Reagents, Analytical/Chromatography, Derivatization Reagents, Derivatization Reagents HPLC, HPLC Derivatization Reagents, by Application, Steroids, Macrolide Antibiotics, UV-VIS
  • {SA} Alpha Sort, Alphabetic, Analytical Standards, Analytical/Chromatography, Aromatics, Chemical Class, Chromatography, D, DID - DIN, Environmental Standards, Nitro Compounds, Volatiles/ Semivolatiles
  • {SNA} Building Blocks, Chemical Synthesis, Nitro Compounds, Nitrogen Compounds, Organic Building Blocks
  • {SNA} Alphabetical Index of Analytical Standards, Analytical Standards,

产品应用

  • 比色测定17-甾酮类化合物,检验箭毒苷、毒毛旋花子。氨基酸的显色剂,有机微量分析测定氮的标准。有机合成。

相关文献及参考

  • Merck: 14,3273
  • Merck: 14,3273 Beilstein:5,258

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
  • H301 Toxic if swallowed 吞食有毒
  • 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
RTECSCZ7350000
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。
  • P308+P313
  • P304+P340+P310
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P302+P350
  • P337+P313
  • P403+P233
  • 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。
  • 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。
  • P305+P351+P338
  • 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。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P301+P310
  • P305+P351+P338+P337+P313
  • P308+P311
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P301+P310+P330
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;
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
  • S27 Take off immediately all contaminated clothing 立即脱掉全部污染的衣服;
  • S20 When using do not eat or drink 使用时,不得进食,饮水;
  • S57 Use appropriate containment to avoid environmental contamination 使用适当容器避免环境污染;
  • S4 Keep away from living quarters 远离生活区;
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所;
  • S27/28
Packing GroupII
UN Number 3443 UN3443 UN 3443 6.1/PG 2
Risk Statements
  • 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
  • R11 Highly flammable 非常易燃
  • R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入,皮肤接触及吞食都有毒
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
  • R50/53
  • R33 Danger of cumulative effects 有累积作用的危险
Hazard Codes T+,N T+,N,T,F
Hazard Class6.1
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Warnings 危化品目录(2015)
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 600 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD-A066-307

{h

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human
DOSE/DURATION           : 28 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York,
   Academic Press, Inc., 1969  Volume(issue)/page/year: -,226,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 74700 ug/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - tremor
   Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
   ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology,
   Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128)  V.1-
   1990-  Volum

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 400 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD-A066-307

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF E

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 50 ug/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 44,9,1977

TYPE OF TEST            : Mutation test systems - not otherwise specified
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 12500 ug/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 272,91,1992

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 3300 ng/plate
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 2,531,1980

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 24 mg/kg
SEX/DURATION            : male 1 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - spermatogenesis (incl. genetic material,
   sperm morphology, motility, and count)
   Reproductive - Paternal Effects - testes, epididymis, sperm duct
REFERENCE :
   FAATDF Fundamental and Applied Toxicology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1981-  Volume(issue)/page/year:
   14,284,1990

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 33600 ug/kg
SEX/DURATION            : female 16 week(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Maternal Effects - ovaries, fallopian tubes
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: 7,829,1981

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 90 mg/kg
SEX/DURATION            : male 12 week(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - spermatogenesis (incl. genetic material,
   sperm morphology, motility, and count)
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: 19,477,1986

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 48 mg/kg
SEX/DURATION            : male 1 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Eff

Restrict 危险品

其他信息

  • 职业标准:TLV-TWA 0.15 PPM
  • 1,3-二硝基苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 80055026 1,3-二硝基苯;间二硝基苯 100g 32.8元 2011/04/16 D0817 1,3-二硝基苯 1,3-Dinitrobenzene 25G 250元 2011/04/16 D0817 1,3-二硝基苯 1,3-Dinitrobenzene 250G 1290元
  • 爆炸物危险特性:与氧化剂混合可爆
  • Alfa Aesar:1,3-二硝基苯,97%,99%(drywt.),maycont.uptoca5%water 1,3-Dinitrobenzene, 99% (dry wt.), may cont. up to ca 5% water(99-65-0)
  • 储运特性:库房通风低温干燥; 与氧化剂分开存放
  • 下游产品:硝基苯 --> 1,3-二氯苯 --> 3-硝基苯胺 --> 间氨基苯甲醚 --> 2,3-二氯-1,4-萘醌 --> 大黄素 --> 2-硝基苯硫氯 --> 2-硝基苯磺酰胺
  • 外观性质:无色固体,有挥发性。
  • 用途三:主要用作染料、颜料及其他有机合成的中间体。在二硝基苯的异构体中,间二硝基苯的用途较多。
  • 图谱信息:1,3-二硝基苯(99-65-0)红外图谱(IR1) 1,3-二硝基苯(99-65-0)红外图谱(IR2) 1,3-二硝基苯(99-65-0)质谱(MS) 1,3-二硝基苯(99-65-0)核磁图( 13 CNMR) 1,3-二硝基苯(99-65-0)Raman光谱 1,3-二硝基苯(99-65-0)核磁图( 1 HNMR) 1,3-二硝基苯(99-65-0)红外图谱(IR3)
  • 类别:易燃固体
  • 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
  • 方法一:由硝基苯经混酸硝化而得。二硝基苯粗品用亚硫酸钠溶液精制。精制滤液主要含硝基苯磺酸钠,这是邻二硝基苯和对二硝基苯与亚硫酸钠反应的产物。硝基苯用混酸硝化时,生成物中间二硝基苯约占88%、邻二硝基苯占10%、对二硝基苯占2%。异构体的分离方法,还有利用三者对乙醇或苯的溶解度不同而设计的后处理过程。
  • MOL 文件:99-65-0.mol
  • 上游原料:硫酸 --> 硝酸 --> 苯 --> 亚硫酸钠 --> 焦亚硫酸钠 --> 硝基苯 --> 苯磺酸钠 --> 对二硝基苯 --> 1,2-二硝基苯
  • 急性毒性:口服- 大鼠 LD50: 59.5 毫克/ 公斤; 口服- 小鼠 LD50: 74.7 毫克/ 公斤
  • 灭火剂:水、干砂、二氧化碳、泡沫、1211灭火剂
  • 毒性分级:高毒
  • 刺激数据:眼- 兔子 100 毫克
  • TCI Shanghai:1,3-二硝基苯 1,3-Dinitrobenzene,>;99.0%(GC)(99-65-0)
  • 有挥发性, 能随水蒸汽挥发. 微溶于水, 1g溶于20ml沸乙醇、37ml乙醇、320ml沸水、2000ml冷水。能溶于乙醇、乙醚、苯、氯仿和乙酸. 其蒸气较空气重4.8倍.有爆炸性. 干品对摩擦敏感. 有毒,有刺激性。 空气中容许浓度为1毫克/米
  • 用途二:用作分析试剂,也用于有机合成
  • 用途一:主要用于制造间苯二胺、间二氯苯等染料、农药和医药中间体
  • MSDS 信息:1,3-二硝基苯(99-65-0).msds
  • 有挥发性, 能随水蒸汽挥发. 微溶于水, 1g溶于20ml沸乙醇、37ml乙醇、320ml沸水、2000ml冷水。能溶于乙醇、乙醚、苯、氯仿和乙酸. 其蒸气较空气重4.8倍.有爆炸性. 干品对摩擦敏感. 有毒,有刺激性。 空气中容许浓度为1毫克/米.

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