Bis(4-Nitrophenyl) Sulfide 双(4-硝基苯基)硫醚

CAS 1223-31-0 MFCD00039745

化学结构图

1223-31-0
SMILES: [O-][N+](=O)c1ccc(cc1)Sc1ccc(cc1)[N+]([O-])=O

化学属性

Mol. FormulaC12H8N2O4S
Mol. Weight276.27
Appearance 橙色片状结晶。熔点156-157℃。溶于冰乙酸，不溶于水。
Melting Point159.0 to 162.0 deg-C

别名和识别编码

Chemical NameBis(4-Nitrophenyl) Sulfide
Synonym p-Nitrophenylsulfide 1,1’-thiobis[4-nitro-benzen 4,4'-Dinitrodiphenylsulphide 二(对硝基苯)硫醚 bis(4-nitrophenyl) sulphide 4,4'-DINITRODIPHENYL SULFIDE Bis(p-nitrophenyl)sulfide 对硝基苯硫醚 BIS(4-NITROPHENYL) SULFIDE OTAVA-BB BB0117381034 DI(4-NITROPHENYL) SULFIDE Benzene, 1,1'-thiobis[4-nitro- BIS(PARA-NITROPHENYL)SULPHIDE 4,4'-DINITROPHENYLSULFIDE 4,4’-Dinitrdiphenylsulphide p-Nitrophenyl sulfide 1,1'-Thiobis(4-nitrobenzene) 1-Nitro-4-[(4-nitrophenyl)thio]benzene sulfide,bis(p-nitrophenyl) BIS(P-NITROPHENYL)SULFIDE BIS-(4-NITRO-PHENYL) SULFANE Sulfide, bis(p-nitrophenyl) 1-Nitro-4-[(4-nitrophenyl)sulfanyl]benzene p,p'-Dinitrodiphenyl sulfide
MDL NumberMFCD00039745
CAS Number1223-31-0
EC Number214-950-0
Reaxys-RN2058966
PubChem Substance ID87567462
Chemical Name Translation双(4-硝基苯基)硫醚
Wiswesser Line NotationWNR DSR DNW
Beilstein Registry Number2058966
InChIKeyZZTJMQPRKBNGNX-UHFFFAOYSA-N
LabNetwork Molecule IDLN01329273
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; sulfide; 1fragment

相关文献及参考

  • Short: III/35D2 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 2: Aromatic Compounds Author: Mikhova, B. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D2 Year: 2005 Keyword: aromatic compounds; carbon-13; chemical shift; coupling constant; molecular structure ISBN: 978-3-540-20189-2 ISBN: 3-540-20189-0 Internet Resource: DOI:10.1007/b83345 RefComment: VIII, 291 p., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. The spectral lines of the nuclei are highly influenced by the chemical environment i.e. the structure and interaction of the molecules. NMR is now the leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR) Data is therefore of major interest to all scientists and engineers who intend to use NMR to study the structure and the binding of molecules. Volume III/35 "NMR-Data" is divided into several subvolumes and parts. Subvolume III/35A contains the nuclei 11B and 31P, subvolume III/35B contains the nuclei 19F and 15N, subvolume III/35C contains the nucleus 1H, subvolume III/35D contains the nucleus 13C, subvolume III/35E contains the nucleus 17O, and subvolume III/35G contains the nucleus 77Se. More nuclei will be presented later.
  • Short: LC Title: LiqCryst 4.6 - Database of Liquid Crystals Author: Vill, V. Year: 2005 Keyword: Flüssigkristalle; LCD; Phasenumwandlung Internet Resource: http://liqcryst.chemie.uni-hamburg.de/
  • Short: EINECS Title: EINECS

安全信息

RTECSWQ2150000
Signal word
Hazard statements
  • H302 Harmful if swallowed 吞食有害
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P301+P312+P330
  • 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。
UN Number 2811
Safety Statements
  • 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；
  • 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；
Risk Statements
  • 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
GHS Symbol 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1490 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J.,
   Prague, Czechoslovakia, Avicenum, 1986  Volume(issue)/page/year: -,1005,1986

其他信息

  • 储运特性:通风, 干燥,防晒
  • 图谱信息:对硝基苯硫醚(1223-31-0)质谱(MS) 对硝基苯硫醚(1223-31-0)核磁图( 1 HNMR) 对硝基苯硫醚(1223-31-0)红外图谱(IR1) 对硝基苯硫醚(1223-31-0)核磁图( 13 CNMR) 对硝基苯硫醚(1223-31-0)红外图谱(IR2)
  • 类别:有毒物质
  • 急性毒性:口服-大鼠 LD50: 1490 毫克/公斤
  • 毒性分级:中毒
  • 灭火剂:沙土,水, 泡沫和二氧化碳
  • MOL 文件:1223-31-0.mol
  • 方法一:将157.5g对硝基氯苯、160g黄原酸钾和450ml95%乙醇加热回流48h。过滤，用热乙醇、热水洗涤，得105-113g二（对硝基苯）硫醚。
  • 用途一:有机合成中间体。
  • 可燃性危险特性:受热排放有毒氮氧化物和硫氧化物
  • 对硝基苯硫醚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D0847 双(4-硝基苯基)硫醚 Bis(4-nitrophenyl) Sulfide 5G 666元 2014/06/02 D0847 双(4-硝基苯基)硫醚 Bis(4-nitrophenyl) Sulfide 25G 1730元
  • 上游原料:乙醇 --> 4-硝基氯苯 --> 乙基黄原酸钾
  • TCI Shanghai:二(4-硝基苯基)硫醚 Bis(4-nitrophenyl) Sulfide,>;99.0%(GC)(1223-31-0)

系列性分类

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