联苯胺双磺酸 | 117-61-3

• 物质功能分类: 化学试剂 - 有机试剂 - 磺酸/亚磺酸
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 联苯胺双磺酸
• 中文别名: 双磺酸联苯胺(BDSA)；2,2’-双磺酸联苯胺；2,2'-联苯胺二磺酸；4，4’-二氨基2，2’-联苯基二磺酸；2,2'-[對]聯苯胺二磺酸；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-2,2'-联苯二磺酸；4,4'-二氨基联苯-2,2'-二磺酸水合物；4,4'-二氨基-3.3'-联苯二磺酸；2,2'-双磺酸联苯胺；2,2-二磺酸联苯胺；4,4'-二氨基-2,2'-二磺酸基-联苯；双磺酸联苯胺；BDSA；2,2'-二磺酸-4,4'-二氨基联苯胺；4,4'-二氨基联苯胺-2,2'-二磺酸；2,2'-二磺酸基联苯胺；4,4-二氨基联苯-2,2-双磺酸；4,4-二氨基联苯胺-2,2-二磺酸
• 英文名称: 4,4'-diamino-2,2'-biphenyldisulfonic acid
• 英文别名: 4,4'-diaminobiphenyl-2,2'-disulfonic acid；2,2'-benzidinedisulfonic acid；benzidine-2,2'-disulfonic acid；4,4′-diaminobiphenyl-2,2′-disulfonic acid；2,2'-disulfo-biphenyl-4,4'-diamine；4,4’-diamino-biphenyl-2,2’-disulfonic acid；5-amino-2-(4-amino-2-sulfophenyl)benzenesulfonic acid
• CAS: 117-61-3
• 化学式: C₁₂H₁₂N₂O₆S₂
• mdl: MFCD00041885
• 分子量: 344.369
• InChiKey: MBJAPGAZEWPEFB-UHFFFAOYSA-N

物化性质

• 熔点：
  175°C
• 沸点：
  638.25℃[at 101 325 Pa]
• 密度：
  1.5417 (rough estimate)
• LogP：
  1.102 at 24℃
• 物理描述：
  Leaflets or prisms or light purple powder. (NTP, 1992)
• 溶解度：
  less than 1 mg/mL at 68° F (NTP, 1992)
• 稳定性/保质期：
  常温常压下稳定，应避免与强氧化剂和热源接触。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  178
• 氢给体数：
  4
• 氢受体数：
  8

安全信息

• TSCA：
  Yes
• 危险品标志：
  Xi
• 安全说明：
  S22,S26,S36
• 危险类别码：
  R20/21/22
• 海关编码：
  2921590090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  储存于阴凉、通风的库房。远离火种、水源，并与氧化剂分开存放，切忌混储。需配备相应的消防器材。储区内应备有合适的材料以处理可能的泄漏。

SDS

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

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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

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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.

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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:

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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.

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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.

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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.

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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.

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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

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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

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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.

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Section 12 - ECOLOGICAL INFORMATION
Other No information available.

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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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.

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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.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

用途：用于有机合成。

类别：有毒物品。

刺激数据：

• 眼睛（兔子）：500 毫克/24 小时，重度刺激。

可燃性危险特性：

• 可燃。
• 燃烧会产生有毒的氮氧化物和硫氧化物烟雾。

储运特性：

• 通风、低温、干燥保存。

灭火剂：

• 干粉、泡沫、沙土、二氧化碳或雾状水。

反应信息

• 作为反应物：
  描述：

  联苯胺双磺酸 在 盐酸 作用下， 生成 联苯胺
  参考文献：
  名称：

  Brunnemann, Justus Liebigs Annalen der Chemie, 1880, vol. 202, p. 340

  摘要：

  DOI：
• 作为产物：
  描述：

  3-硝基苯磺酸水合物 在 锌 作用下， 生成 联苯胺双磺酸
  参考文献：
  名称：

  Fierz-David,H. E.; Blangey,L., Grundlegende Operationen der Farbenchemie, 5. Aufl. , S. 118

  摘要：

  DOI：

文献信息

• [EN] IRON(III) AND GALLIUM(III) METAL ORGANIC POLYHEDRA, METHODS OF MAKING SAME, AND USES THEREOF<br/>[FR] POLYÈDRES ORGANIQUES MÉTALLIQUES DE FER(III) ET DE GALLIUM(III), LEURS PROCÉDÉS DE FABRICATION ET LEURS UTILISATIONS
  申请人：UNIV NEW YORK STATE RES FOUND

  公开号：WO2020263761A1

  公开（公告）日：2020-12-30

  Compounds may have at least two structural units, which may be referred to as ligands. Each structural unit includes at least one spacer group and two or more donor groups. Compounds may have two or more iron(III) cations, one or more of which may be a high- spin iron(III) cation or high-spin iron(III) cations, two or more gallium(III) cations, or at least one iron(III) cation, one or more of which may be a high-spin iron(III) cation or high-spin iron(III) cations, and at least one gallium(III) cation, where the iron(III) cation(s) and/or the gallium(III) cation(s) coordinate to the donor groups. The compounds may be self-assembled cages. A composition may include one or more of the compound(s) and a pharmaceutically accepted carrier. Methods of imaging use one or more of the compound(s) and/or one or more of the composition(s).

  化合物可能至少有两个结构单元，可以称为配体。每个结构单元包括至少一个间隔基团和两个或更多供体基团。化合物可能具有两个或更多个铁（III）阳离子，其中一个或多个可能是高自旋铁（III）阳离子，两个或更多个镓（III）阳离子，或至少一个铁（III）阳离子，其中一个或多个可能是高自旋铁（III）阳离子，和至少一个镓（III）阳离子，其中铁（III）阳离子和/或镓（III）阳离子与供体基团配位。这些化合物可能是自组装笼状结构。一种组合物可能包括一个或多个这些化合物和一个药用可接受的载体。成像方法使用一个或多个这些化合物和/或一个或多个这些组合物。
• [EN] AZO DYES<br/>[FR] COLORANTS AZOÏQUES
  申请人：KEMIRA OYJ

  公开号：WO2012072634A1

  公开（公告）日：2012-06-07

  The present invention relates to new azo dyes, a process for their preparation, and their use for dyeing or printing fibrous materials, to produce materials with brownish shades.

  本发明涉及新的偶氮染料，其制备过程，以及它们用于染色或印花纤维材料以产生棕色调材料的用途。
• Size‐Selective Encapsulation of Hydrophobic Guests by Self‐Assembled M ₄ L ₆ Cobalt and Nickel Cages
  作者：Tanya K. Ronson、Chandan Giri、N. Kodiah Beyeh、Antti Minkkinen、Filip Topić、Julian J. Holstein、Kari Rissanen、Jonathan R. Nitschke

  DOI：10.1002/chem.201203751

  日期：2013.3.4

  tetrahedral cages, where M=FeII, CoII, or NiII, were observed to result in substantial differences in affinity for hydrophobic guests in water. Changing the metal ion from iron(II) to cobalt(II) or nickel(II) increases the size of the interior cavity of the cage and allows encapsulation of larger guest molecules. NMR spectroscopy was used to study the recognition properties of the iron(II) and cobalt(II) cages

  观察到一系列[M 4 L 6 ] 4−四面体笼之间的金属-配体键长存在细微差异，其中M = Fe II，Co II或Ni II，导致对疏水性客体的亲和力存在实质性差异。将金属离子从铁（II）变成钴（II）或镍（II）会增加笼子内部腔的大小，并允许封装更大的客体分子。NMR光谱用于研究铁（II）和钴（II）笼对水中小的疏水客体的识别特性，单晶X射线衍射用于研究铁（II）的固态配合物）和镍（II）笼子。
• [EN] PHOTOALIGNING MATERIALS<br/>[FR] MATÉRIAUX DE PHOTOALIGNEMENT
  申请人：ROLIC AG

  公开号：WO2013050121A1

  公开（公告）日：2013-04-11

  The present invention relates to polymer, homo- or copolymer or oligomer for the photoalignment of liquid crystals, especially for the planar orientation of liquid crystals, comprising a main chain and a side chain, wherein the side chain and/or main chain comprises a polar group, compositions thereof, and its use for optical and electro optical devices, especially liquid crystal devices (LCDs).

  本发明涉及用于液晶的光调向的聚合物、同聚物或寡聚物，特别用于液晶的平面取向，包括主链和侧链，其中侧链和/或主链包含极性基团，以及其组合物，以及其在光学和电光设备中的应用，特别是液晶设备（LCD）。
• [EN] PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND A INHIBITOR OF THE RSV FUSION PROTEIN<br/>[FR] COMPOSITION PHARMACEUTIQUE COMPRENANT UN DERIVE DE BENZODIAZEPINE ET UN INHIBITEUR DE LA PROTEINE DE FUSION DU VIRUS RESPIRATOIRE SYNCYTIAL
  申请人：ARROW THERAPEUTICS LTD

  公开号：WO2005089771A1

  公开（公告）日：2005-09-29

  A pharmaceutical composition which comprises a pharmaceutically acceptable carrier or diluent and: (a) an inhibitor of the RSV fusion protein; and (b) a benzodiazepine derivative capable of inhibiting RSV replication is found to be highly active against RSV.

  一种包含药用可接受载体或稀释剂以及：(a) RSV融合蛋白抑制剂；和(b) 能够抑制RSV复制的苯二氮䓬类衍生物的药物组合物被发现对RSV具有很高的活性。

表征谱图