聚碳化二亚胺 | 151-51-9

• 物质功能分类: 催化剂及助剂 - 防老剂
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 聚碳化二亚胺
• 英文名称: carbodiimide
• CAS: 151-51-9
• 化学式: CH₂N₂
• 分子量: 42.0403
• InChiKey: VPKDCDLSJZCGKE-UHFFFAOYSA-N

物化性质

• 沸点：
  154 °C
• 密度：
  1.03 g/mL at 25 °C
• 闪点：
  46 °C
• 稳定性/保质期：
  如果按照规定使用和储存，则不会发生分解，目前没有发现任何已知的危险反应。

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  3
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  47.7
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险品标志：
  T
• 安全说明：
  S16,S26,S36/37/39,S45,S53
• 危险类别码：
  R60,R20/21/22,R10,R36/37/38
• 危险品运输编号：
  UN 1993 3/PG 3
• 海关编码：
  3824909990
• 储存条件：
  请将贮藏器密封，并存放在阴凉、干燥处。确保工作间有良好的通风或排气装置。

SDS

Version 1.3
Regulation (EC) No 1907/2006

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1 - Product and Company Information

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Product Name POLYCARBODIIMIDE, 50 WT. % SOLUTION IN
PROPYLENE GLYCOL METHYL ETHER ACETATE

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2 - Hazards Identification

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SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT
May impair fertility. Flammable. Harmful by inhalation, in contact
with skin and if swallowed. Irritating to eyes, respiratory system
and skin.

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3 - Composition/Information on Ingredients

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Product Name CAS # EC no Annex I
Index Number
POLYCARBODIIMIDE, 50 WT. % None None None
SOLUTION INPROPYLENE GLYCOL
METHYL ETHER ACETATE
Formula CH2N2

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4 - First Aid Measures

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AFTER INHALATION
If inhaled, remove to fresh air. If not breathing give
artificial respiration. If breathing is difficult, give oxygen.
AFTER INGESTION
If swallowed, wash out mouth with water provided person is
conscious. Call a physician immediately.

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5 - Fire Fighting Measures

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EXTINGUISHING MEDIA
Suitable: For small (incipient) fires, use media such as
"alcohol" foam, dry chemical, or carbon dioxide. For large
fires, apply water from as far as possible. Use very large
quantities (flooding) of water applied as a mist or spray; solid
streams of water may be ineffective. Cool all affected
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containers with flooding quantities of water.
SPECIAL RISKS
Specific Hazard(s): Combustible liquid. Emits toxic fumes under
fire conditions.
SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS
Wear self-contained breathing apparatus and protective clothing
to prevent contact with skin and eyes.

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6 - Accidental Release Measures

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PROCEDURE(S) OF PERSONAL PRECAUTION(S)
Wear respirator, chemical safety goggles, rubber boots, and
heavy rubber gloves.
METHODS FOR CLEANING UP
Absorb on sand or vermiculite and place in closed containers for
disposal. Ventilate area and wash spill site after material
pickup is complete.

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7 - Handling and Storage

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HANDLING
Directions for Safe Handling: Do not breathe vapor. Avoid
contact with eyes, skin, and clothing. Avoid prolonged or
repeated exposure.
STORAGE
Conditions of Storage: Keep tightly closed. Keep away from heat
and open flame. Store in a cool dry place.

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8 - Exposure Controls / Personal Protection

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ENGINEERING CONTROLS
Mechanical exhaust required. Safety shower and eye bath.
GENERAL HYGIENE MEASURES
Wash contaminated clothing before reuse. Wash thoroughly after
handling.
PERSONAL PROTECTIVE EQUIPMENT
Special Protective Measures: Wear appropriate government approved
respirator, chemical-resistant gloves, safety goggles, other
protective clothing.

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9 - Physical and Chemical Properties

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pH N/A
BP/BP Range 154,000 °C
MP/MP Range N/A
Flash Point 46,000 °C Method: closed cup
Flammability N/A
Autoignition Temp N/A
Oxidizing Properties N/A
Explosive Properties N/A
Explosion Limits N/A
Vapor Pressure N/A
SG/Density 1,0300 g/cm3
Partition Coefficient N/A
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Viscosity N/A
Vapor Density N/A
Saturated Vapor Conc. N/A
Evaporation Rate N/A
Bulk Density N/A
Decomposition Temp. N/A
Solvent Content N/A
Water Content N/A
Surface Tension N/A
Conductivity N/A
Miscellaneous Data N/A
Solubility N/A

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10 - Stability and Reactivity

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STABILITY
Stable: Stable.
Conditions of Instability: Moisture.
Conditions to Avoid: Moisture.
Materials to Avoid: Strong acids.
HAZARDOUS DECOMPOSITION PRODUCTS
Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide,
Nitrogen oxides.
HAZARDOUS POLYMERIZATION
Hazardous Polymerization: Will not occur

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11 - Toxicological Information

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SENSITIZATION
Sensitization: Prolonged or repeated exposure may cause allergic
reactions in certain sensitive individuals.
SIGNS AND SYMPTOMS OF EXPOSURE
Exposure can cause: Narcotic effect. Lung irritation, chest
pain, and edema which may be fatal. CNS depression. Dermatitis.
Gastrointestinal disturbances. Contact with eyes may cause
blindness. To the best of our knowledge, the chemical, physical,
and toxicological properties have not been thoroughly
investigated.
ROUTE OF EXPOSURE
Skin Contact: Causes skin irritation.
Skin Absorption: May be harmful if absorbed through the skin.
Eye Contact: Causes eye irritation. Can cause blindness.
Warning: exposure to vapor may cause eye injury, the onset of
which may be delayed for several hours. Avoid all exposure to
eyes.
Inhalation: May be harmful if inhaled. Material is irritating to
mucous membranes and upper respiratory tract.
Ingestion: May be harmful if swallowed.
TARGET ORGAN INFORMATION
Nerves. Liver. Kidneys.
CHRONIC EXPOSURE - REPRODUCTIVE HAZARD
Result: Overexposure may cause reproductive disorder(s) based on
tests with laboratory animals.

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12 - Ecological Information

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No data available.

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13 - Disposal Considerations

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SUBSTANCE DISPOSAL
This combustible material may be burned in a chemical incinerator
equipped with an afterburner and scrubber. Observe all federal,
state, and local environmental regulations.

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14 - Transport Information

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RID/ADR
UN#: 1993
Class: 3
PG: III
Proper Shipping Name: Flammable liquid, n.o.s.
IMDG
UN#: 1993
Class: 3
PG: III
Proper Shipping Name: Flammable liquid, n.o.s.
Marine Pollutant: No
Severe Marine Pollutant: No
Technical Name: Required
IATA
UN#: 1993
Class: 3
PG: III
Proper Shipping Name: Flammable liquid, n.o.s.
Inhalation Packing Group I: No
Technical Name: Required

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15 - Regulatory Information

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CLASSIFICATION AND LABELING ACCORDING TO EU DIRECTIVES
INDICATION OF DANGER: T
Toxic.
R-PHRASES: 60-10-20/21/22-36/37/38
May impair fertility. Flammable. Harmful by inhalation, in
contact with skin and if swallowed. Irritating to eyes,
respiratory system and skin.
S-PHRASES: 53-16-26-36/37/39-45
Avoid exposure - obtain special instructions before use. Keep
away from sources of ignition - no smoking. In case of contact
with eyes, rinse immediately with plenty of water and seek
medical advice. Wear suitable protective clothing, gloves, and
eye/face protection. In case of accident or if you feel unwell,
seek medical advice immediately (show the label where possible).
Caution: Substance not yet fully tested (EU).

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16 - Other Information

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WARRANTY
The above information is believed to be correct but does not
purport to be all inclusive and shall be used only as a guide. The
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information in this document is based on the present state of our
knowledge and is applicable to the product with regard to
appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Inc.,
shall not be held liable for any damage resulting from handling or
from contact with the above product. See reverse side of invoice
or packing slip for additional terms and conditions of sale.
Copyright 2010 Co. License granted to make
unlimitedpaper copies for internal use only.
DISCLAIMER
For R&D use only. Not for drug, household or other uses.
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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

聚氨酯弹性体简介

聚氨酯弹性体是聚氨酯材料的重要组成部分，由聚酯多元醇与异氰酸酯反应生成。因其优异的耐冲击性和耐磨性，受到市场广泛认可。其应用领域包括但不限于聚氨酯热塑性弹性体、聚氨酯微孔弹性体等。具体产品如挡泥板、仪表板、挡风玻璃密封条、矿山用输送带、PU鞋底以及各种衬材等。此外，聚酯树脂（例如PET、PBT）也已得到广泛应用。

理化性质

聚碳化二亚胺又称为防老剂PCD，是一种棕色粉末，相对密度约为1.05，软化点在70～80℃之间。它易溶于石油、苯、四氯化碳和醋酸乙酯，难溶于丙酮，不溶于乙醇和水。聚碳化二亚胺可用作混塑型聚氨酯橡胶的抗水解剂与抗氧剂，提高硫化胶的稳定性并延缓胶料水解现象的发生。为使其发挥作用，建议在高于其软化点的温度下加入。

碳化二亚胺法

共价交联进行酶固定化的常用方法之一是通过水溶性碳化二亚胺，在pH4.75～5时与载体上的羧基反应，使载体上产生大量高活性的0-酰基异脲衍生物。常用的碳化二亚胺包括1-乙基-3-(3-二甲氨基丙基)-碳化二亚胺（EDC）和1-环己烷基-3-(2-吗啉代-乙基)-碳化二亚胺-N-甲基-P-苯-硫酸(CMC)。酶与活化载体的耦联最佳条件是在4℃、pH7下反应4～16小时。

进行酶固定化的碳化二亚胺法有两种基本类型：二步法和一步法。前者先将载体用碳化二亚胺活化，洗涤后再加入酶；后者是将载体与酶混合后加入碳化二亚胺进行固定化。此外，还有将酶先行用碳化二亚胺处理的方法，此作用发生在酶蛋白的羧基上，然后被固定到载体氨基上。

水溶性碳化二亚胺常用于多种酶和载体间的耦联。通过一步法，使用CMC和EDC已成功地将酸性磷酸酶固定到聚丙烯酸-聚乙烯共聚体上；用EDC将葡糖淀粉酶与葡糖氧化酶固定到活性炭上；以及在pH 4.8、0℃条件下反应18小时后通过EDC将索青霉纤维酶耦联到可溶性PVA上。此外，碳化二亚胺还常用于分隔臂固定法中，常用的分隔分子包括盐酸-1,6-二氨基己烷和ε-氨基己酸。

Mazid 和 Laidler 在固定化N6-羧甲基NAD时用CMC先将分隔分子耦联到N6-羧甲基NAD上，然后使用一步法（pH 5、21℃条件下反应24小时）通过CMC介导将修饰后的N6-羧甲基NAD固定在部分水解的尼龙网膜上。Kitano等则以ε-氨基己酸为分隔分子用EDC将碱性磷酸酶固定到聚苯乙烯胶乳颗粒上。

反应信息

• 作为反应物：
  描述：

  聚碳化二亚胺 在 potassium tert-butylate 作用下， 以 二甲基亚砜 为溶剂， 反应 19.0h， 生成 5-(5-chloro-benzo[1,3]dioxol-4-yl)-6-cyano-7-hydroxy-4-oxo-4,5-dihydro-3H-1-thia-3,5,8-triaza-acenaphthylene-2-carboxylic acid ethyl ester
  参考文献：
  名称：

  SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS

  摘要：

  本发明涉及公式(I)的取代噻三氮杂蒽-6-碳腈化合物及其形式，它们的合成和用于治疗、预防或改善慢性或急性蛋白激酶介导的疾病、紊乱或状况的用途。

  公开号：

  US20070225309A1
• 作为产物：
  描述：

  氰胺 在 acid 水 作用下， 生成 聚碳化二亚胺
  参考文献：
  名称：

  酸催化的氰胺水解：碳二亚胺碱性和碳二亚胺与氰胺之间的互变异构平衡常数的估计

  摘要：

  N-氰基脲被证明是双氰胺水解中的中间体，其显示为作为其碳二亚胺互变异构体反应。的水解Ñ -cyanourea，二氰胺，和NN ' -二甲基-氰基胍是特定酸催化。已证明一般的酸催化可用于NN'-二甲基氰基胍的水解，并且被认为是特定的酸亲核性的。假设碳二亚胺机理也适用于氰胺的特定酸催化水解，则在25°水中水中形成母体碳二亚胺的互变异构平衡常数估计为0.6×10 –7，质子化碳二亚胺的p K酰亚胺（H 2 [图形省略]Ç NH ⇌ ħ + + HN Ç NH），估计的零一个单元内有一个值。报告了氰胺碱水解的速率常数。

  DOI：

  10.1039/p29840001009
• 作为试剂：
  描述：

  N-苄氧羰基-L-酪氨酸 在 聚碳化二亚胺 作用下， 以 乙酸乙酯 为溶剂， 生成 L-酪氨酸,N-[O-氰基-N-[(苯基甲氧基)羰基]-L-酪氨酰]-,己基酯,氰酸酯(ester)
  参考文献：
  名称：

  涉及α-L-氨基酸侧链的聚合反应

  摘要：

  Faisabilite de lapolymerisation de cesaminoacids naturalls via leurs chaineslaterales par des liaisons autres que les liaisons amide

  DOI：

  10.1021/ja00237a030

文献信息

• Inhibitors of histone deacetylase
  申请人：——

  公开号：US20020177594A1

  公开（公告）日：2002-11-28

  Compounds having the formula 1 or therapeutically acceptable salts thereof, are histone deacetylase (HDAC) inhibitors. Preparation of the compounds, compositions containing the compounds, and treatment of diseases using the compounds are disclosed.

  具有以下化学式的化合物或其治疗上可接受的盐是组蛋白去乙酰化酶（HDAC）抑制剂。本文揭示了该化合物的制备、含有该化合物的组合物以及使用该化合物治疗疾病的方法。
• [EN] MODULATORS OF AMYLOID BETA.<br/>[FR] MODULATEURS DE LA PROTÉINE ?-AMYLOÏDE
  申请人：ASTRAZENECA AB

  公开号：WO2010053438A1

  公开（公告）日：2010-05-14

  The present invention relates to novel compounds of formula I and therapeutically acceptable salts thereof, their pharmaceutical compositions, processes for making them and their use as therapeutic methods for treatment and/or prevention of various diseases. In particular the invention relates to compounds, which inhibit the Aβ40 and Aβ42 production, increase the Aβ37 and Aβ38 production and maintain the Notch signaling and will be used for treatment and/or prevention of Aβ-related pathologies such as Alzheimer's disease, Downs syndrome and β-amyloid angiopathy, such as but not limited to cerebral amyloid angiopathy, hereditary cerebral hemorrhage, disorders associated with cognitive impairment, such as but not limited to MCI ("mild cognitive impairment"), Alzheimer's disease, memory loss, attention deficit symptoms associated with Alzheimer's disease, neurodegeneration associated with diseases such as Alzheimer's disease or dementia including dementia of mixed vascular and degenerative origin, pre-senile dementia, senile dementia and dementia associated with Parkinson's disease, progressive supranuclear palsy or cortical basal degeneration.

  本发明涉及式I的新化合物及其治疗上可接受的盐，它们的药物组合物，制造它们的方法以及它们作为治疗和/或预防各种疾病的治疗方法的使用。特别是，本发明涉及抑制Aβ40和Aβ42产生，增加Aβ37和Aβ38产生并维持Notch信号传导的化合物，并将用于治疗和/或预防与Aβ相关的病理，如阿尔茨海默病、唐氏综合症和β-淀粉样蛋白血管病，例如但不限于脑淀粉样血管病、遗传性脑出血、与认知障碍相关的疾病，例如但不限于MCI（“轻度认知障碍”）、阿尔茨海默病、记忆丧失、与阿尔茨海默病相关的注意力缺陷症状、与阿尔茨海默病或包括混合血管和退行性来源的痴呆在内的疾病相关的神经退行性变、早老性痴呆、老年性痴呆和与帕金森病、进行性核上瘫或皮层基底退行性变相关的痴呆。
• [EN] DNA-TARGETED BENZOTRIAZINE 1,4-DIOXIDES AND THEIR USE IN CANCER THERAPY<br/>[FR] 1,4-DIOXIDES DE BENZOTRIAZINE CIBLEES SUR ADN ET LEUR UTILISATION DANS LE TRAITEMENT DU CANCER
  申请人：AUCKLAND UNISERVICES LTD

  公开号：WO2004026846A1

  公开（公告）日：2004-04-01

  The present invention relates to DNA-targeted 1,2,4-benzotriazine- 1,4-dioxides and related analogues, to their preparation, and to their use as hypoxia-selective drugs and radiosensitizers for cancer therapy, both alone or in combination with radiation and/or other anticancer drugs.

  本发明涉及以DNA为靶标的1,2,4-苯并三氮唑-1,4-二氧化物及相关类似物，其制备方法，以及它们作为针对缺氧选择性药物和放射增敏剂在癌症治疗中的应用，无论是单独使用还是与放射线和/或其他抗癌药物结合使用。
• Nickel-Catalyzed Reductive Addition of Aryl/Benzyl Halides and Pseudohalides to Carbodiimides for the Synthesis of Amides
  作者：Farhad Panahi、Fereshteh Jamedi、Nasser Iranpoor

  DOI：10.1002/ejoc.201501349

  日期：2016.2

  A Nickel-catalyzed reductive process is described for the direct amidation of benzyl and aryl halides using carbodiimides as the amidating agent. Moreover, aryl and benzyl C–O electrophiles such as triflate, acetate, tosylate, trityl ether, and pivalate were converted into amides using this method. The in-situ-generated Ni0 acts as a catalyst for the reaction at room temperature for benzylic substrates

  描述了使用碳二亚胺作为酰胺化剂直接酰胺化苄基和芳基卤化物的镍催化还原方法。此外，芳基和苄基 C-O 亲电试剂，如三氟甲磺酸酯、乙酸酯、甲苯磺酸酯、三苯甲基醚和新戊酸酯，使用该方法转化为酰胺。原位生成的 NiO 充当室温下苄基底物和 70°C 芳基亲电试剂反应的催化剂。这种新的镍催化还原偶联方案为使用碳二亚胺合成各种酰胺提供了一种通用且操作简单的方法。带有大取代基的酰胺可以通过这种策略以高产率合成，这证明了其在酰胺合成中的有效性。
• Meteorites as Catalysts for Prebiotic Chemistry
  作者：Raffaele Saladino、Giorgia Botta、Michela Delfino、Ernesto Di Mauro

  DOI：10.1002/chem.201303690

  日期：2013.12.9

  From outer space: Twelve meteorite specimens, representative of their major classes, catalyse the synthesis of nucleobases, carboxylic acids, aminoacids and low‐molecular‐weight compounds from formamide (see figure). Different chemical pathways are identified, the yields are high for a prebiotic process and the products come in rich and composite panels.

  从外层空间看：代表其主要类别的十二个陨石样品催化了甲酰胺合成核碱基，羧酸，氨基酸和低分子量化合物的过程（见图）。确定了不同的化学途径，益生元工艺的收率很高，产品采用丰富的复合材料面板。