异邻苯二甲酰亚胺 | 1740-57-4

• 物质功能分类: 化学试剂 - 有机试剂 - 酰胺
• 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: 异邻苯二甲酰亚胺
• 中文别名: 1,3-苯二羧酰胺；異酞醯胺
• 英文名称: isophthalamide
• 英文别名: Isophthalsaeure-diamid；Isophthalamid；isophthalic amide；benzene-1,3-dicarboxamide
• CAS: 1740-57-4
• 化学式: C₈H₈N₂O₂
• mdl: MFCD00014801
• 分子量: 164.164
• InChiKey: QZUPTXGVPYNUIT-UHFFFAOYSA-N

物化性质

• 熔点：
  268-270°C
• 沸点：
  291.62°C (rough estimate)
• 密度：
  1.2739 (rough estimate)
• 稳定性/保质期：
  在常温常压下保持稳定，应避免与氧化物接触。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  86.2
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• RTECS号：
  CZ2201000
• 海关编码：
  2924299090
• 危险类别：
  IRRITANT
• 安全说明：
  S22,S24/25

SDS

---

Section I.Chemical Product and Company Identification
Chemical Name Isophthalamide
Portland OR
1,3-Benzenedicarboxamide (9 CI)
Synonym
C6H4(CONH2)2
Chemical Formula
CAS Number 1740-57-4

---

Section II. Composition and Information on Ingredients
Chemical Name CAS Number Percent (%) TLV/PEL Toxicology Data
Isophthalamide 1740-57-4 Min. 97.0 (N) Not available. Rat LD50 (intraperitoneal) 991
mg/kg
Mouse LD50 (intraperitoneal) 1261
mg/kg

---

Section III. Hazards Identification
No specific information is available in our data base regarding the toxic effects of this material for humans. However,
Acute Health Effects
exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
this compound.
Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
Chronic Health Effects CARCINOGENIC EFFECTS : Not available.
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
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 Contact Check 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 Contact In 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.
Inhalation If 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.
INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.
Ingestion
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.

---

Section V. Fire and Explosion Data
Not available.
Flammability May be combustible at high temperature. Auto-Ignition
Flash Points Flammable Limits Not available.
Not available.
Combustion Products These 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.
Continued on Next Page
Isophthalamide

---

Section VI. Accidental Release Measures
Spill Cleanup Use a shovel to put the material into a convenient waste disposal container. Finish cleaning the spill by rinsing any
contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on
Instructions
disposal.

---

Section VII. Handling and Storage
Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the container and store in a dry, cool
Handling and Storage
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
Engineering Controls Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below
recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
airborne contaminants below the exposure limit.
Personal Protection Splash goggles. Lab coat. Dust respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult
a specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent.
Exposure Limits Not available.

---

Section IX. Physical and Chemical Properties
Solid. (White, Crystalline powder.) Solubility
Physical state @ 20°C Not available.
Not available.
Specific Gravity
Molecular Weight 164.16 Partition Coefficient Not available.
Boiling Point
Not available. Vapor Pressure Not applicable.
Melting Point Not available. Vapor Density Not available.
Refractive Index Not available. Volatility Not available.
Critical Temperature Not available. Odor Not available.
Viscosity Not available. Taste Not available.

---

Section X. Stability and Reactivity Data
Stability

---

This material is stable if stored under proper conditions. (See Section VII for instructions)
Conditions of Instability Avoid excessive heat and light.
Incompatibilities Reactive with oxidizing agents.

---

Section XI. Toxicological Information
CZ2201000
RTECS Number
Eye Contact. Ingestion. Inhalation.
Routes of Exposure
Toxicity Data Rat LD50 (intraperitoneal) 991 mg/kg
Mouse LD50 (intraperitoneal) 1261 mg/kg
CARCINOGENIC EFFECTS : Not available.
Chronic Toxic Effects
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.
Acute Toxic Effects No specific information is available in our data base regarding the toxic effects of this material for humans. However,
exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
this compound.
Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
Continued on Next Page
Isophthalamide

---

Section XII. Ecological Information
Ecotoxicity Not available.
Not available.
Environmental Fate

---

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 Classification Not a DOT controlled material (United States).
Not applicable.
PIN Number
Proper Shipping Name
Not applicable.
Packing Group (PG) Not applicable.
DOT Pictograms

---

Section XV. Other Regulatory Information and Pictograms
TSCA Chemical Inventory This 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 Classification Not available.
(Canada)
EINECS Number (EEC) 217-104-9
EEC Risk Statements Not available.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  异邻苯二甲酰亚胺 在 3 A molecular sieve 作用下， 280.0~500.0 ℃ 、0.4 Pa 条件下， 反应 0.25h， 以90%的产率得到间苯二甲腈
  参考文献：
  名称：

  在闪蒸真空热解 (FVP) 条件下通过酰胺和肟的催化脱水合成腈的实验室规模

  摘要：

  酰胺和肟的脱水可由 3 A 分子筛或三氧化钨在闪蒸真空热解 (FVP) 条件下催化。这为脂肪族、芳香族和杂环腈的合成提供了便利，通常在温和、中性和短接触时间条件下以优异的收率合成。

  DOI：

  10.1055/s-2007-990782
• 作为产物：
  描述：

  间苯二甲腈 在 乙酰胺 、 溶剂黄146 、 tetrakis(acetonitrile)palladium(II) tetrafluoroborate 作用下， 50.0 ℃ 、399.97 Pa 条件下， 反应 2.5h， 以91%的产率得到异邻苯二甲酰亚胺
  参考文献：
  名称：

  二腈的水合转移到二甲酰胺

  摘要：

  我们提出了一种可靠的二腈双转移水合方法，以提供二酰胺。在以乙酰胺为水供体的钯（II）催化剂存在下，1,n-二腈（n = 1-6）的转移水合顺利进行，以中等至高产率提供相应的二酰胺，且不涉及显着的副反应如一水合或环化。通过在减压下去除联产乙腈，平衡向前移动。

  DOI：

  10.1055/s-0039-1690026

文献信息

• [EN] BLUE POLYMERIC HAIR DYES<br/>[FR] COLORANTS CAPILLAIRES POLYMÈRES BLEUS
  申请人：CIBA HOLDING INC

  公开号：WO2009090124A1

  公开（公告）日：2009-07-23

  Disclosed are cationic polymeric dye with a hue value of h = 210° to 330° comprising: a) a polymer backbone, b) a residue of an organic dye, and c) optionally colorless organic groups, wherein (b) and (c) are covalently bound to the polymer backbone (a), and wherein the cationic charges can independently be part of the dye or the colorless organic groups. The dyes are distinguished by their depth of shade and their good fastness properties to washing, such as, for example, fastness to light, shampooing and rubbing.

  揭示了一种带有色调值为h = 210°至330°的阳离子聚合染料，包括：a)聚合物骨架，b)有机染料残基，以及c)可选的无色有机基团，其中(b)和(c)与聚合物骨架(a)以共价键结合，阳离子电荷可以独立地成为染料或无色有机基团的一部分。这些染料以其色深和对洗涤的良好耐久性特性而区分，例如对光、洗发水和摩擦的耐久性。
• [EN] OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF<br/>[FR] COMPOSÉS OXADIAZOLE QUI INHIBENT L'ACTIVITÉ DE LA BÊTA-SECRÉTASE, ET LEURS PROCÉDÉS D'UTILISATION
  申请人：COMENTIS INC

  公开号：WO2012054510A1

  公开（公告）日：2012-04-26

  The invention provides novel beta-secretase inhibitors and methods for their including methods of treating Alzheimer's disease.

  这项发明提供了新型β-分泌酶抑制剂以及它们的方法，包括治疗阿尔茨海默病的方法。
• Selective NaOH-catalysed hydration of aromatic nitriles to amides
  作者：Thibault E. Schmid、Alberto Gómez-Herrera、Olivier Songis、Deborah Sneddon、Antoine Révolte、Fady Nahra、Catherine S. J. Cazin

  DOI：10.1039/c5cy00313j

  日期：——

  The selective synthesis of aromatic and heteroaromatic amides through base-catalysed hydration of nitriles was achieved using inexpensive and commercially available NaOH as the only catalyst. A wide range of nitriles was selectively converted to their corresponding amides. Kinetic studies show that the double hydration of nitriles towards undesirable carboxylic acids is negligible under our reaction

  使用廉价和可商购的NaOH作为唯一催化剂，可以通过碱催化腈的水合反应选择性合成芳族和杂芳族酰胺。各种各样的腈被选择性地转化为其相应的酰胺。动力学研究表明，在我们的反应条件下，腈类向不想要的羧酸的双重水合作用可以忽略不计。
• Metal-free one-pot oxidative conversion of benzylic alcohols and benzylic halides into aromatic amides with molecular iodine in aq ammonia, and hydrogen peroxide
  作者：Ryosuke Ohmura、Misato Takahata、Hideo Togo

  DOI：10.1016/j.tetlet.2010.06.051

  日期：2010.8

  could be converted into the corresponding aromatic amides in good yields in a one-pot manner by treatment with molecular iodine in aq. NH3, followed by reaction with ∼30% aq H2O2. Similarly, various benzylic halides could be also converted into the corresponding aromatic amides in good yields in a one-pot manner by treatment with molecular iodine in aq NH3, followed by reaction with ∼30% aq H2O2. The

  通过在水溶液中用分子碘处理，各种伯醇，特别是苯甲醇，可以一锅法以高收率转化成相应的芳族酰胺。NH 3，然后与约30％的H 2 O 2水溶液反应。类似地，通过在NH 3水溶液中用分子碘处理，然后与约30％的H 2 O 2水溶液反应，也可以通过一锅法将各种苄基卤化物以高收率的方式转化为相应的芳族酰胺。本反应涉及苄基醇和苄基卤化物的无金属的一锅氧化分别转化为相应的芳族酰胺。
• [EN] ANTHRACENYL - TETRALACTAM MACROCYCLES AND THEIR USE IN DETECTING A TARGET SACCHARIDE<br/>[FR] MACROCYCLES ANTHRACÉNYLE-TÉTRALACTAME ET LEUR UTILISATION DANS LA DÉTECTION D'UN SACCHARIDE CIBLE
  申请人：UNIV BRISTOL

  公开号：WO2013160701A1

  公开（公告）日：2013-10-31

  A water-soluble compound of the formula (I): (Formula (I)) wherein R9 and R10 are suitably hydrophilic substituents, which may be used to selectively bind to a target saccharide such as glucose and which exhibits a detectable spectroscopic response to such binding, thus enabling its use in the detection and correction of blood glucose concentrations in vivo.

  一种水溶性化合物的化学式（I）：（化学式（I）），其中R9和R10是适当亲水性取代基，可用于选择性地结合到葡萄糖等靶标糖，并且对此类结合表现出可检测的光谱响应，从而使其能够用于体内检测和校正血糖浓度。

表征谱图