2373-98-0

• 常用中文名：3,3’-二羟基联苯胺
• 常用英文名：4,4'-Diamino-3,3'-biphenyldiol
• CAS号：2373-98-0
• 分子式：C₁₂H₁₂N₂O₂
• 分子量：216.236
• 相关类别： 医药中间体 杂环化合物 噻吩类化合物
• 发布时间：2018-04-12 08:00:00
• 更新时间：2024-01-02 10:29:14
• 下载msds

名称

• 中文名: 3,3'-二羟基联苯胺
• 英文名: 2-amino-5-(4-amino-3-hydroxyphenyl)phenol
• 中文别名: 二羟基联苯胺; 3,3'-二羟基-4,4'-联苯二胺; 3,3’-二羟基联苯胺
• 英文别名: 3,3'-Biphenyldiol,4,4'-diamino; Benzidine,3,3'-dihydroxy; [1,1'-Biphenyl]-3,3'-diol, 4,4'-diamino-; 4,4'-diamino-biphenyl-3,3'-diol; MFCD00039149; 3,3'-diamino-4,4'-dihydroxybiphenyl; 4,4'-Diaminobiphenyl-3,3'-diol; 3,3'-Dioxybenzidine; 4,4'-Diamino-[1,1'-biphenyl]-3,3'-diol; 3,3'-hydroxy-4,4'-diaminobiphenyl; 3,3'-DIHYDROXYBENZIDINE; Benzidine-3,3'-diol; 3,3-Dihydroxybenzidine; 3,3'-Dihydroxy-4,4'-diaminobiphenyl; 4,4'-Diamino-3,3'-dihydroxybiphenyl; 4,4'-Diamino-3,3'-biphenyldiol

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 440.7±45.0 °C at 760 mmHg
• 熔点: 292 °C
• 分子式: C₁₂H₁₂N₂O₂
• 分子量: 216.236
• 闪点: 220.3±28.7 °C
• 精确质量: 216.089874
• PSA: 92.50000
• LogP: 0.55
• 蒸汽压: 0.0±1.1 mmHg at 25°C
• 折射率: 1.742
• 储存条件: 室温
• 分子结构:

  1、 摩尔折射率：63.08

  2、 摩尔体积（m³/mol）：156.1

  3、 等张比容（90.2K）：462.3

  4、 表面张力（dyne/cm）：76.8

  5、 极化率（10 ^-24cm ³）：25.00

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:4

  3.氢键受体数量:4

  4.可旋转化学键数量:1

  5.互变异构体数量:82

  6.拓扑分子极性表面积92.5

  7.重原子数量:16

  8.表面电荷:0

  9.复杂度:213

  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：未确定

  2. 密度（g/L,20ºC）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：292

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC 35mmHg）：未确定

  7. 折射率（nD20）：未确定

  8. 闪点（ºF）：未确定

  9. 比旋光度（）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（Pa,20ºC）：未确定

  12. 饱和蒸气压（kPa,20ºC）：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：未确定

MSDS

Section I.Chemical Product and Company Identification Chemical Name 3,3'-Dihydroxybenzidine Portland OR Synonym[1,1'-Biphenyl]-3,3'-diol, 4,4'-diamino- (CA INDEX NAME); 4,4'-Diamino-3,3'-dihydroxybiphenyl; Benzidine-3,3'-diol Chemical FormulaC12H12N2O2 2373-98-0 CAS Number Section II.Composition and Information on Ingredients Chemical NameCAS Number Percent (%)TLV/PELToxicology Data 3,3'-Dihydroxybenzidine2373-98-0Min. 98.0This chemical is classified as aNot available. (HPLC,T)carcinogen. There is no acceptable exposure limit for a carcinogen. Section III. Hazards Identification Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the Acute Health Effects eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening, or, occasionally, blistering. Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound. CARCINOGENIC EFFECTS : Carcinogenic by RTECS criteria. Chronic Health Effects MUTAGENIC EFFECTS : Not available. TERATOGENIC EFFECTS : Tumorigenic effects. Rat TDLo Oral 9950 mg/kg for 52 weeks intermittent Toxic Effects: Tumorigenic - Neoplastic by RTECS criteria Skin and Appendages - Tumors Rat TDLo Subcutaneous 5900 mg/kg for 43 weeks intermittent Toxic Effects: Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - Tumors Liver - Tumors Mouse TDLo Oral 11 gm/kg for 47 weeks intermittent Toxic Effects: Tumorigenic - Equivocal tumorigenic agent by RTECS criteria Lung, Thorax, or Respiration - Tumors Blood - Tumors DEVELOPMENTAL TOXICITY: Not available. Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions. Section IV.First Aid Measures Eye ContactCheck for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical attention. Skin ContactIn case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing before reuse. Thoroughly clean shoes before reuse. Get medical attention. InhalationIf the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not improve. IngestionINDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat. Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic material was ingested; the absence of such signs, however, is not conclusive. Continued on Next Page 3,3'-Dihydroxybenzidine Section V.Fire and Explosion Data Not available. FlammabilityMay be combustible at high temperature.Auto-Ignition Flammable LimitsNot available. Flash PointsNot available. Combustion ProductsThese products are toxic carbon oxides (CO, CO2), nitrogen oxides (NO, NO2). Fire Hazards Not available. Risks of explosion of the product in presence of mechanical impact: Not available. Explosion Hazards Risks of explosion of the product in presence of static discharge: Not available. Fire Fighting Media SMALL FIRE: Use DRY chemical powder. LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet. and Instructions Consult with local fire authorities before attempting large scale fire-fighting operations. Section VI.Accidental Release Measures Irritating material. Carcinogenic material. Spill Cleanup Use a shovel to put the material into a convenient waste disposal container. Consult federal, state, and/or local authorities for Instructions assistance on disposal. Section VII. Handling and Storage IRRITANT. CARCINOGEN. Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the container Handling and Storage and store in a dry, cool place. Avoid excessive heat and light. Do not breathe dust. Information Always store away from incompatible compounds such as oxidizing agents. Section VIII. Exposure Controls/Personal Protection Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below recommended Engineering Controls exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to airborne contaminants below the exposure limit. Splash goggles. Lab coat. Dust respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a Personal Protection specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent. Exposure LimitsThis chemical is classified as a carcinogen. There is no acceptable exposure limit for a carcinogen. Section IX. Physical and Chemical Properties Solid. (Light yellow ~ reddish-yellow,Solubility Physical state @ 20°CSoluble in DMF. crystalline powder ~ powder.) Very slightly soluble in water. Not available. Specific Gravity Molecular Weight216.24Partition CoefficientNot available. Boiling PointNot available.Not applicable. Vapor Pressure Melting Point292°C (557.6°F)Vapor DensityNot available. Not available.Not available. Refractive IndexVolatility Critical TemperatureNot available.OdorNot available. Not available.Not available. ViscosityTaste Section X.Stability and Reactivity Data Stability This material is stable if stored under proper conditions. (See Section VII for instructions) Conditions of InstabilityAvoid excessive heat and light. IncompatibilitiesReactive with oxidizing agents. Section XI. Toxicological Information RTECS NumberDV4900000 Eye Contact. Ingestion. Inhalation. Routes of Exposure Not available. Toxicity Data Continued on Next Page 3,3'-Dihydroxybenzidine Chronic Toxic EffectsCARCINOGENIC EFFECTS : Carcinogenic by RTECS criteria. MUTAGENIC EFFECTS : Not available. TERATOGENIC EFFECTS : Tumorigenic effects. Rat TDLo Oral 9950 mg/kg for 52 weeks intermittent Toxic Effects: Tumorigenic - Neoplastic by RTECS criteria Skin and Appendages - Tumors Rat TDLo Subcutaneous 5900 mg/kg for 43 weeks intermittent Toxic Effects: Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - Tumors Liver - Tumors Mouse TDLo Oral 11 gm/kg for 47 weeks intermittent Toxic Effects: Tumorigenic - Equivocal tumorigenic agent by RTECS criteria Lung, Thorax, or Respiration - Tumors Blood - Tumors DEVELOPMENTAL TOXICITY: Not available. Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions. Acute Toxic EffectsIrritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening, or, occasionally, blistering. Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound. Section XII.Ecological Information Not available. Ecotoxicity Environmental FateNot available. Section XIII. Disposal Considerations Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a Waste Disposal 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. Section XIV. Transport Information DOT ClassificationNot a DOT controlled material (United States). PIN NumberNot applicable. Proper Shipping NameNot applicable. Packing Group (PG)Not applicable. DOT Pictograms Section XV. Other Regulatory Information and Pictograms TSCA Chemical InventoryThis product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40 CFR 720.36 (C) for those products not on the inventory list: (EPA) (i) These products are supplied solely for use in research and development by or under the supervision of a technically qualified individual as defined in 40 CFR 720.0 et sec. (ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be supplied on an MSDS sheet. WHMIS ClassificationCLASS D-2B: Material causing other toxic effects (TOXIC). (Canada) EINECS Number (EEC)Not available. EEC Risk StatementsR36/37/38- Irritating to eyes, respiratory system and skin. R45- May cause cancer. 3,3'-Dihydroxybenzidine TCI laboratory chemicals are for research purposes only and are NOT intended for use as drugs, food additives, households, or pesticides. The information herein is believed to be correct, but does not claim to be all inclusive and should be used only as a guide. Neither the above named supplier nor any of its subsidiaries assumes any liability whatsoever for the accuracy or completeness of the information contained herein. Final determination of suitability of any material is the sole responsibility of the user. All chemical reagents must be handled with the recognition that their chemical, physiological, toxicological, and hazardous properties have not been fully investigated or determined. All chemical reagents should be handled only by individuals who are familiar with their potential hazards and who have been fully trained in proper safety, laboratory, and chemical handling procedures. Although certain hazards are described herein, we can not guarantee that these are the only hazards which exist. Our MSDS sheets are based only on data available at the time of shipping and are subject to change without notice as new information is obtained. Avoid long storage periods since the product is subject to degradation with age and may become more dangerous or hazardous. It is the responsibility of the user to request updated MSDS sheets for products that are stored for extended periods. Disposal of unused product must be undertaken by qualified personnel who are knowledgeable in all applicable regulations and follow all pertinent safety precautions including the use of appropriate protective equipment (e.g. protective goggles, protective clothing, breathing equipment, facial mask, fume hood). For proper handling and disposal, always comply with federal, state, and local regulations. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1、致癌性:大鼠试验：大鼠经口TDLo：9950mg/kg/52w-1；大鼠试验：大鼠皮下TDLo：5900 mg/kg/43w-1； 大鼠试验：大鼠多途径TDLo： 6900 kg /43w-1； 小鼠实验：小鼠经口TDLo： 11gm /kg/47W-1；小鼠实验：小鼠皮肤上TDLo：5040 mg/kg/52w-1；小鼠实验：小鼠皮下TDLo： 1620 gm /kg/45W-1； 小鼠实验：小鼠皮下TD： 14 gm /kg/43W-1 2、 致突变性：噬菌体抑制能力检测系统：细菌-大肠杆菌：100mmol/L CHEMICAL IDENTIFICATION RTECS NUMBER : DV4900000 CHEMICAL NAME : 3,3'-Biphenyldiol, 4,4'-diamino- CAS REGISTRY NUMBER : 2373-98-0 BEILSTEIN REFERENCE NO. : 2725972 LAST UPDATED : 199612 DATA ITEMS CITED : 8 MOLECULAR FORMULA : C12-H12-N2-O2 MOLECULAR WEIGHT : 216.26 WISWESSER LINE NOTATION : ZR BQ DR DZ CQ HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 9950 mg/kg/52W-I TOXIC EFFECTS : Tumorigenic - neoplastic by RTECS criteria Skin and Appendages - tumors TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 5900 mg/kg/43W-I TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors Liver - tumors TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Multiple routes SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 6900 mg/kg/43W-I TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors Skin and Appendages - tumors TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 11 gm/kg/47W-I TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors Blood - tumors TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 5040 mg/kg/52W-I TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors Liver - tumors TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1620 gm/kg/45W-I TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Kidney, Ureter, Bladder - tumors TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 14 gm/kg/43W-I TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Blood - tumors Skin and Appendages - tumors MUTATION DATA TYPE OF TEST : Phage inhibition capacity TEST SYSTEM : Bacteria - Escherichia coli DOSE/DURATION : 100 mmol/L REFERENCE : MDMIAZ Medycyna Doswiadczalna i Mikrobiologia. For English translation, see EXMMAV. (Ars Polona, POB 1001, 00-068 Warsaw 1, Poland) V.1- 1949- Volume(issue)/page/year: 31,11,1979

安全

• 危害码 (欧洲): T
• 风险声明 (欧洲): 40
• 安全声明 (欧洲): S22-S53
• RTECS号: DV4900000
• 海关编码: 2922199090

合成路线

119-90-4 ~% 2373-98-0

文献：DE727869 , ; DRP/DRBP Org.Chem.

6264-77-3 ~% 2373-98-0

文献：DE727869 , ; DRP/DRBP Org.Chem.

738545-25-0 ~% 2373-98-0

文献：DE488611 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 16, p. 343

119-90-4 ~% 2373-98-0 87084-62-6

文献：CH2371187 , ;

7647-01-0 738545-25-0 ~% 2373-98-0

文献：Journal of the Chemical Society, , p. 149,150 DE488611 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 16, p. 343

7647-01-0 6309-66-6 ~% 2373-98-0

文献：Journal of the Chemical Society, , p. 152

7664-93-9 738545-25-0 ~% 2373-98-0

文献：DE488611 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 16, p. 343

上下游产品

上游产品  6
119-90-4 6264-77-3 738545-25-0 7647-01-0
6309-66-6 7664-93-9
下游产品  2
56716-06-4 6309-67-7

海关

海关编码	2922199090
中文概述	2922199090. 其他氨基醇及其醚，酯和它们的盐（但含一种以上含氧基的除外）. 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, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
Summary	2922199090. other amino-alcohols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%