117-61-3

• 常用中文名：2,2'-联苯胺二磺酸
• 常用英文名：4,4'-Diamino-2,2'-biphenyldisulfonic acid
• CAS号：117-61-3
• 分子式：C₁₂H₁₂N₂O₆S₂
• 分子量：344.363
• 相关类别： 化学试剂 有机试剂 磺酸/亚磺酸
• 发布时间：2018-02-05 08:00:00
• 更新时间：2024-01-02 09:09:27
• 用于有机合成

名称

• 中文名: 2,2’-双磺酸联苯胺
• 英文名: 5-amino-2-(4-amino-2-sulfophenyl)benzenesulfonic acid
• 中文别名: 2,2'-[對]聯苯胺二磺酸; 2,2'-联苯胺二磺酸; 2,2''-[(1,1''-联苯)-4,4''-二基二-2,1-乙烯二基]双苯磺酸二钠盐; 4,4'-二氨基-3.3'-联苯二磺酸; 4，4’-二氨基2，2’-联苯基二磺酸; 4,4'-二氨基联苯-2,2'-二磺酸水合物; 4,4'-二氨基-2,2'-联苯二磺酸; 双磺酸联苯胺(BDSA); 联苯胺双磺酸
• 英文别名: 4,4'-Diaminobiphenyl-2,2'-disulfonic acid; [1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-diamino-; Benzidine,2,2'-disulfo; 4,4'-Diamino-biphenyl-2,2'-disulfonsaeure; 2,2'-Benzidinedisulfonic acid; 4,4'-diaminodiphenyl-2,2'-disulfonic acid; 4,4'-Diamino-2,2'-biphenyldisulfonic acid; Benzidine-2,2'-disulphonic acid; 6,6'-Bimetanilic acid; Benzidine-2,2'-disulfonic acid; 2,2'-Disulfobenzidine; Kyselina benzidin-2,2'-disulfonova; EINECS 204-200-0; 4,4'-Diamino-[1,1'-biphenyl]-2,2'-disulfonic acid; MFCD00041885

物化性质

• 密度: 1.7±0.1 g/cm3
• 熔点: 175ºC
• 分子式: C₁₂H₁₂N₂O₆S₂
• 分子量: 344.363
• 精确质量: 344.013672
• PSA: 177.54000
• LogP: -2.42
• 外观性状: 单张或棱柱或淡紫色粉末
• 折射率: 1.703
• 储存条件:

  储存于阴凉、通风的库房。远离火种、水源。应与氧化剂分开存放，切忌混储。配备相应品种和数量的消防器材。储区应备有合适的材料收容泄漏物。

• 稳定性:

  常温常压稳定，避免与强氧化剂、热接触。

• 水溶解性: <0.1 g/100 mL at 20 ºC
• 分子结构:

  五、分子性质数据：

  1、 摩尔折射率：79.39

  2、 摩尔体积（m³/mol）：204.8

  3、 等张比容（90.2K）：623.1

  4、 表面张力（dyne/cm）：85.6

  5、 极化率（10^-24cm³）：31.47

• 计算化学:

  1.疏水参数计算参考值（XlogP）:-0.3

  2.氢键供体数量:4

  3.氢键受体数量:8

  4.可旋转化学键数量:3

  5.互变异构体数量:无

  6.拓扑分子极性表面积178

  7.重原子数量:22

  8.表面电荷:0

  9.复杂度:540

  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：紫色粉末。

  2. 密度（g/mL,25℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：175

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC, KPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）：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, ºC）：未确定

  12. 饱和蒸气压（kPa, ºC）：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

Name: 4 4 -Diamino-2 2 -biphenyldisulfonic acid (techn) 85% (titr.) Material Safety Data Sheet Synonym: None CAS: 117-61-3 Section 1 - Chemical Product MSDS Name:4 4 -Diamino-2 2 -biphenyldisulfonic acid (techn) 85% (titr.) Material Safety Data Sheet Synonym:None Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 117-61-3 1,1'-biphenyl-2,2'-disulfonic acid,4,4 ca.100 204-200-0 Hazard Symbols: XN Risk Phrases: 20/21/22 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful by inhalation, in contact with skin and if swallowed.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: Potential cancer hazard. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Extinguishing Media: Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 117-61-3: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Crystalline powder Color: purple Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C12H12N2O6S2 Molecular Weight: 344.36 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Irritating and toxic fumes and gases. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 117-61-3: DV5230000 LD50/LC50: CAS# 117-61-3: Draize test, rabbit, eye: 500 mg/24H Mild. Carcinogenicity: 1,1'-biphenyl-2,2'-disulfonic acid,4,4'-diamino- - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. Section 12 - ECOLOGICAL INFORMATION Other No information available. Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. Safety Phrases: S 24/25 Avoid contact with skin and eyes. S 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 117-61-3: No information available. Canada CAS# 117-61-3 is listed on Canada's DSL List. CAS# 117-61-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 117-61-3 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1、 刺激性：兔经眼标准德雷兹染眼实验：500mg/24H 轻度刺激。 2、 急性毒性：小鼠经腹腔LD：>500mg/kg 生态学数据: 对水有稍微的危害。 CHEMICAL IDENTIFICATION RTECS NUMBER : DV5230000 CHEMICAL NAME : 2,2'-Biphenyldisulfonic acid, 4,4'-diamino- CAS REGISTRY NUMBER : 117-61-3 BEILSTEIN REFERENCE NO. : 2675524 LAST UPDATED : 199701 DATA ITEMS CITED : 3 MOLECULAR FORMULA : C12-H12-N2-O6-S2 MOLECULAR WEIGHT : 344.38 WISWESSER LINE NOTATION : WSQR CZ F- 2 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration into the eye SPECIES OBSERVED : Rodent - rabbit REFERENCE : 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1061,1986 ** ACUTE TOXICITY DATA ** TYPE OF TEST : LD - Lethal dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : >500 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 5,285,1953

安全

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): R20/21/22
• 安全声明 (欧洲): 22-26-36
• RTECS号: DV5230000
• 海关编码: 2921590090

合成路线

177343-00-9 ~% 117-61-3

文献：Justus Liebigs Annalen der Chemie, , vol. 202, p. 332,337 Chemische Berichte, , vol. 11, p. 1047 Justus Liebigs Annalen der Chemie, , vol. 261, p. 310

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文献：Justus Liebigs Annalen der Chemie, , vol. 202, p. 340 Chemische Berichte, , vol. 11, p. 1047 Justus Liebigs Annalen der Chemie, , vol. 261, p. 310

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文献：Grundlegende Operationen der Farbenchemie, 5. Aufl. , S. 118

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文献：Chemische Berichte, , vol. 23, p. 1053 Justus Liebigs Annalen der Chemie, , vol. 261, p. 310

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文献：Chem. Zentralbl., , vol. 95, # II p. 1082

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文献：DE172569 ;

上下游产品

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海关

海关编码	2921590090
中文概述	2921590090. 其他芳香多胺及衍生物及它们的盐. 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	2921590090. other aromatic polyamines and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%