1223-31-0

• 常用中文名：双(4-硝基苯基)硫醚
• 常用英文名：di(p-Nitrophenyl) sulfide
• CAS号：1223-31-0
• 分子式：C₁₂H₈N₂O₄S
• 分子量：276.268
• 发布时间：2018-06-11 00:02:24
• 更新时间：2024-01-02 17:26:47

• 有机合成中间体。

名称

• 中文名: 对硝基苯硫醚
• 英文名: Bis(4-nitrophenyl) Sulfide
• 中文别名: 双(4-硝基苯)硫; 二(对硝基苯)硫醚; 双(4-硝基苯基)硫醚
• 英文别名: EINECS 214-950-0; 1-nitro-4-(4-nitrophenyl)sulfanylbenzene; 1,1'-Sulfanediylbis(4-nitrobenzene); Di(4-nitrophenyl) Sulfide; di(p-Nitrophenyl) sulfide; Benzene, 1,1'-thiobis[4-nitro-; 4,4'-Dinitrodiphenyl Sulfide; Bis(4-nitrophenyl) Sulfide; MFCD00039745

物化性质

• 密度: 1.5±0.1 g/cm3
• 沸点: 487.4±30.0 °C at 760 mmHg
• 熔点: 160°C
• 分子式: C₁₂H₈N₂O₄S
• 分子量: 276.268
• 闪点: 248.6±24.6 °C
• 精确质量: 276.020477
• PSA: 116.94000
• LogP: 3.59
• 外观性状: 固体;Light yellow to Brown powder to crystal
• 蒸汽压: 0.0±1.2 mmHg at 25°C
• 折射率: 1.687
• 储存条件:

  保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置

• 稳定性:

  如果遵照规格使用和储存则不会分解，未有已知危险反应，避免氧化物

• 水溶解性: 可溶于：丙酮
• 分子结构:

  1、 摩尔折射率：71.54

  2、 摩尔体积（m³/mol）：187.8

  3、 等张比容（90.2K）：543.9

  4、 表面张力（dyne/cm）: 70.3

  5、 介电常数：无可用

  6、 偶极距（10 ^-24cm ³）：无可用

  7、 极化率：28.36

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:5

  4.可旋转化学键数量:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积117

  7.重原子数量:19

  8.表面电荷:0

  9.复杂度:294

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

• 更多:

  1. 性状：橙色晶体状粉末，有恶臭

  2. 密度（g/mL,20℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：160

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,1mmHg）：未确定

  7. 折射率（n20/D）：未确定

  8. 闪点（ºF）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（mmHg,20ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：溶于冰醋酸，不溶于水

MSDS

Bis(4-nitrophenyl) Sulfide Revision number: 5 SAFETY DATA SHEET Section1. IDENTIFICATION Product name:Bis(4-nitrophenyl) Sulfide Revision number:5 Section2. HAZARDS IDENTIFICATION GHS classification PHYSICAL HAZARDSNot classified HEALTH HAZARDS Acute toxicity (Oral)Category 4 Not classified ENVIRONMENTAL HAZARDS GHS label elements, including precautionary statements Pictograms or hazard symbols Signal wordWarning Hazard statementsHarmful if swallowed Precautionary statements: [Prevention]Do not eat, drink or smoke when using this product. Wash hands thoroughly after handling. IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell. [Response] Rinse mouth. Dispose of contents/container through a waste management company authorized by [Disposal] the local government. Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Components:Bis(4-nitrophenyl) Sulfide Percent:>99.0%(GC) CAS Number:1223-31-0 Synonyms:4,4'-Dinitrodiphenyl Sulfide , Di(4-nitrophenyl) Sulfide Chemical Formula:C12H8N2O4S Section4. FIRST AID MEASURES Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing. Get medical advice/attention if you feel unwell. Skin contact:Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower. If skin irritation or rash occurs: Get medical advice/attention. Bis(4-nitrophenyl) Sulfide Section4. FIRST AID MEASURES Eye contact:Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. Ingestion:Call a POISON CENTER or doctor/physician if you feel unwell. Rinse mouth. Protection of first-aiders:A rescuer should wear personal protective equipment, such as rubber gloves and air- tight goggles. Section5. FIRE-FIGHTING MEASURES Dry chemical, foam, water spray, carbon dioxide. Suitable extinguishing media: Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to from the chemical:generate poisonous fume. Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing method according to the surrounding situation is used. Uninvolved persons should evacuate to a safe place. In case of fire in the surroundings: Remove movable containers if safe to do so. Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Personal precautions,Use personal protective equipment. Keep people away from and upwind of spill/leak. protective equipment and Entry to non-involved personnel should be controlled around the leakage area by emergency procedures: roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it. containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with up: appropriate laws and regulations. Section7. HANDLING AND STORAGE Precautions for safe handling Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment. Prevent dispersion of dust. Wash hands and face thoroughly after handling. Use a local exhaust if dust or aerosol will be generated. Advice on safe handling: Avoid contact with skin, eyes and clothing. Conditions for safe storage, including any incompatibilities Storage conditions:Keep container tightly closed. Store in a cool and dark place. Store away from incompatible materials such as oxidizing agents. Packaging material:Comply with laws. Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Engineering controls:Install a closed system or local exhaust as possible so that workers should not be exposed directly. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Dust respirator. Follow local and national regulations. Hand protection:Protective gloves. Safety glasses. A face-shield, if the situation requires. Eye protection: Skin and body protection: Protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Solid Crystal- Powder Form: Colour:Pale yellow - Reddish yellow No data available Odour: pH: No data available Melting point/freezing point:160°C Bis(4-nitrophenyl) Sulfide Section9. PHYSICAL AND CHEMICAL PROPERTIES Boiling point/range:No data available Flash point:No data available Flammability or explosive limits: Lower:No data available Upper:No data available Relative density:No data available Solubility(ies): [Water]No data available [Other solvents] Soluble:Acetone Section10. STABILITY AND REACTIVITY Chemical stability:Stable under proper conditions. Possibility of hazardous No special reactivity has been reported. reactions: Incompatible materials: Oxidizing agents Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Sulfur oxides products: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:orl-rat LD50:1490 mg/kg Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: IARC =No data available No data available NTP = Reproductive toxicity:No data available RTECS Number:WQ2150000 Section12. ECOLOGICAL INFORMATION Ecotoxicity: Fish:No data available Crustacea:No data available Algae:No data available Persistence / degradability: No data available BioaccumulativeNo data available potential(BCF): Mobility in soil Log Pow:No data available Soil adsorption (Koc):No data available Henry's LawNo data available constant(PaM3/mol): Section13. DISPOSAL CONSIDERATIONS Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Section14. TRANSPORT INFORMATION Hazards Class:Does not correspond to the classification standard of the United Nations UN-No:Not listed Bis(4-nitrophenyl) Sulfide Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002 and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1、急性毒性：大鼠口经LD50：1490mg/kg 生态学数据: 对是水稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统，若无政府许可，勿将材料排入周围环境。 CHEMICAL IDENTIFICATION RTECS NUMBER : WQ2150000 CHEMICAL NAME : Sulfide, bis(p-nitrophenyl) CAS REGISTRY NUMBER : 1223-31-0 BEILSTEIN REFERENCE NO. : 2058966 LAST UPDATED : 199701 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C12-H8-N2-O4-S MOLECULAR WEIGHT : 276.28 WISWESSER LINE NOTATION : WNR DSR DNW HEALTH HAZARD DATA ACUTE TOXICITY DATA 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

安全

• 风险声明 (欧洲): R23/24/25
• 安全声明 (欧洲): S26-S36/37/39
• 危险品运输编码: 2811
• RTECS号: WQ2150000
• 海关编码: 2930909090

合成路线

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制备

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。

海关

海关编码	2930909090
中文概述	2930909090. 其他有机硫化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%