[4-(4-Azaniumyl-3-chlorophenyl)-2-chlorophenyl]azanium;dichloride

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [4-(4-Azaniumyl-3-chlorophenyl)-2-chlorophenyl]azanium;dichloride
• 英文别名: [4-(4-azaniumyl-3-chlorophenyl)-2-chlorophenyl]azanium;dichloride
• 化学式: C12H12Cl4N2
• mdl: MFCD00040388
• 分子量: 326.0
• InChiKey: BXAONUZFBUNTQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.17
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  52
• 氢给体数：
  4
• 氢受体数：
  2

ADMET

代谢

在大鼠和狗中进行的一项新陈代谢研究显示，静脉注射的3,3'-二氯联苯胺的主要排泄途径是通过粪便排出。

A metabolism study ... in rats and dogs showed that fecal excretion was the major route of excretion of intravenously injected 3,3'-dichlorobenzidine.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌性证据

分类：B2；可能的人类致癌物。分类依据：基于在大鼠、小鼠和狗中统计显著增加的肿瘤发生率。进一步的证据支持来自于其遗传毒性和与已知的人类膀胱致癌物联苯胺的结构相关性。人类致癌性数据：不足。动物致癌性数据：充分。/3,3'-二氯联苯胺/

CLASSIFICATION: B2; probable human carcinogen. BASIS FOR CLASSIFICATION: Based on statistically significantly increased tumor incidence in rats, mice and dogs. Additional support is provided by positive evidence of genotoxicity and structural relationship to the known human bladder carcinogen benzidine. HUMAN CARCINOGENICITY DATA: Inadequate. ANIMAL CARCINOGENICITY DATA: Sufficient. /3,3'-Dichlorobenzidine/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌性证据

人类致癌性证据不足。动物致癌性证据充分。总体评估：2B组：该物质可能对人类致癌性。/3,3'-二氯联苯胺/

Inadequate evidence of carcinogenicity in humans. Sufficient evidence of carcinogenicity in animals. OVERALL EVALUATION: Group 2B: The agent is possibly carcinogenic to humans. /3,3'-Dichlorobenzidine/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌性证据

A3; 对动物已确认的致癌物，对人类的相关性未知。/3,3'-二氯联苯胺/

A3; Confirmed animal carcinogen with unknown relevance to humans. /3,3'-Dichlorobenzidine/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌性证据

3,3'-二氯联苯胺二盐酸盐：合理预期为人类致癌物。

3,3'-Dichlorobenzidine Dihydrochloride: reasonably anticipated to be a human carcinogen.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 副作用

职业性肝毒素 - 第二性肝毒素：在职业环境中的毒性效应潜力是基于人类摄入或动物实验的中毒案例。 皮肤致敏剂 - 可以诱导皮肤过敏反应的制剂。 NTP致癌物 - 有理由预期为人类致癌物。

Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. Skin Sensitizer - An agent that can induce an allergic reaction in the skin. NTP Carcinogen - Reasonably anticipated to be a human carcinogen.

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

吸收、分配和排泄

1954年，实验室测试结果表明皮肤是苯唑啉的主要进入门户。人们认为盐酸苯唑啉可能通过皮肤被吸收。

... In 1954 /results from laboratory tests indicated/ that skin is principal portal of entry of benzidines. ... It was considered likely that the hydrochloride salt could be absorbed percutaneously. /Benzidines/

来源:Hazardous Substances Data Bank (HSDB)

反应信息

• 作为反应物：
  描述：

  [4-(4-Azaniumyl-3-chlorophenyl)-2-chlorophenyl]azanium;dichloride 、 sodium nitrite 生成 3,3'-二氯[1,1'-联苯]-4,4'-二(重氮)二氯化物
  参考文献：
  名称：

  HAYS, BYRON G.

  摘要：

  DOI：

文献信息

• [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）。
• Pigment compositions for oil-based lithographic printing inks
  申请人：Marr McAlpine Alastair

  公开号：US20050250875A1

  公开（公告）日：2005-11-10

  Pigment compositions suitable for oil-based lithographic printing inks are provided which comprise besides an organic pigment, a hyperdispersant which is a poly-alkyleneiminepolyester adduct, a synergist agent which is a quaternary ammonium pigment derivative, a solvent which includes aliphatic/aromatic hydrocarbon distillates and vegetable oils, and optionally rosin or a modified rosin. The printing inks prepared from these pigment compositions show outstanding improvements in their rheological properties.

  提供适用于油性平版印刷油墨的颜料组合物，其除了有有机颜料外，还包括以下成分：一种高分散剂，该高分散剂是聚烯基亚胺-聚酯加合物；一种协同剂，该协同剂是季铵盐颜料衍生物；一种溶剂，其中包括脂肪族/芳香族烃馏分和植物油；可选地，还包括松香或改性松香。从这些颜料组合物制备的印刷油墨在其流变性能方面表现出卓越的改善。
• PHOTOCROSSLINKABLE MATERIALS COMPRISING ALICYCLIC GROUP
  申请人：Eckert Jean-Francois

  公开号：US20100048849A1

  公开（公告）日：2010-02-25

  A diamine compound of formula (I) is proposed as well as polymers, copolymers, polyamic acids, polyamic acid esters, or polyimides based on such compound.

  提出了一种化学式为（I）的二胺化合物，以及基于该化合物的聚合物，共聚物，聚酰胺酸，聚酰胺酸酯或聚酰亚胺。
• Photocrosslinkable Materials
  申请人：Bachels Thomas

  公开号：US20080293888A1

  公开（公告）日：2008-11-27

  A diamine compound of formula (I) is proposed as well as polymers, copolymers, polyamic acids, polyamic acid esters, or polyimides based on such compound.

  提出了一种化学式为(I)的二胺化合物，以及基于该化合物的聚合物、共聚物、聚酰胺酸、聚酰胺酸酯或聚酰亚胺。
• PHOTOCROSSLINKABLE MATERIALS
  申请人：BACHELS Thomas

  公开号：US20120076952A1

  公开（公告）日：2012-03-29

  A diamine compound of formula (I) is proposed as well as polymers, copolymers, polyamic acids, polyamic acid esters, or polyimides based on such compound.

  提议一种化学式为（I）的二胺化合物，以及基于该化合物的聚合物、共聚物、聚酰胺酸、聚酰胺酸酯或聚酰亚胺。

表征谱图