2,4,6-三甲基-1,3-次苯基二异氰酸盐 | 16959-10-7

• 物质功能分类: 化学试剂 - 有机试剂 - 氰酸酯/异氰酸酯
• 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: 2,4,6-三甲基-1,3-次苯基二异氰酸盐
• 中文别名: 三甲基-1,3-次苯基二异氰酸盐；2,3-二甲氧基-5-磺酰胺基苯甲酸；2,4,6-三甲基-1,3-亚苯基二异氰酸盐
• 英文名称: 2,4,6-Trimethylbenzol-1,3-diyldiisocyanat
• 英文别名: 2,4,6-trimethylphenyl 1,3-diisocyanate；1.3.5-Trimethylbenzen-2.4-diisocyanat；Mesitylendiisocyanat；2,4,6-Trimethyl-1,3-phenylene diisocyanate；2,4-diisocyanato-1,3,5-trimethylbenzene
• CAS: 16959-10-7
• 化学式: C₁₁H₁₀N₂O₂
• mdl: MFCD00673067
• 分子量: 202.213
• InChiKey: OSVNEGAPNXBADJ-UHFFFAOYSA-N

物化性质

• 熔点：
  57-60 °C(lit.)
• 沸点：
  102 °C0.4 mm Hg(lit.)
• 密度：
  1.2107 (rough estimate)
• 闪点：
  >230 °F
• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.272
• 拓扑面积：
  58.9
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S23
• 危险类别码：
  R20/21/22
• WGK Germany：
  3
• 海关编码：
  2929109000

SDS

Name:	2 4 6-Trimethyl-1 3-phenylene diisocyanate Material Safety Data Sheet
Synonym:	None
CAS:	16959-10-7

Section 1 - Chemical Product MSDS Name:2 4 6-Trimethyl-1 3-phenylene diisocyanate Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
16959-10-7	2,4,6-Trimethyl-1,3-phenylene diisocya	100	unlisted

Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye irritation. Lachrymator (substance which increases the flow of tears).
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Organic isocyanates can cause local irritation and allergic reactions.
Ingestion:
Harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. At high concentrations, isocyanates affect mucous membranes of the respiratory tract and may lead to fatal pulmonary edema. Exposure to low and often even unmeasurable isocyanate concentration results in sensitization.
Chronic:
Repeated or prolonged exposure may cause allergic reactions in sensitive individuals. Chronic overexposure to isocyanates has been reported to cause lung damage, including decreased lung fuction, which may be permanent.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Do NOT allow victim to rub eyes or keep eyes closed.
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:
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. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
Notes to Physician:
Treat symptomatically and supportively.

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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.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Do not allow contact with water. Wash clothing before reuse. Keep from contact with moist air and steam. Isocyanates react with water to form CO2 gas. This gas can cause sealed containers to expand and possibly rupture.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.

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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# 16959-10-7: 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: Solid
Color: white to off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 102 deg C @ .40 mm Hg
Freezing/Melting Point: 57-60C
Autoignition Temperature: Not applicable.
Flash Point: > 109 deg C (> 228.20 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C11H10N2O2
Molecular Weight: 202.08

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Moisture, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen cyanide, nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Will not occur.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 16959-10-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,4,6-Trimethyl-1,3-phenylene diisocyanate - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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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
Shipping Name: ISOCYANATES, TOXIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2206
Packing Group: III
IMO
Shipping Name: ISOCYANATES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 2206
Packing Group: III
RID/ADR
Shipping Name: ISOCYANATES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 2206
Packing group: III

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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.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 16959-10-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 16959-10-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 16959-10-7 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为产物：
  描述：

  1,3-二硝基-2,4,6-三甲基苯 以64%的产率得到
  参考文献：
  名称：

  MANOV-YUVENSKIJ V. I.; REDOSHKIN B. A.; NEFEDOV B. K.; BELYAEVA G. P., IZV. AN CCCP CEP. XIM., 1980, HO 1, 133-136

  摘要：

  DOI：

文献信息

• Fluorinated crosslinker and composition
  申请人：——

  公开号：US20020111518A1

  公开（公告）日：2002-08-15

  Fluorinated multifunctional alcohols containing at least 3 primary hydroxyl groups are disclosed. Such alcohols allow for easy synthesis of multifunctional crosslinkers such as acrylates, epoxies and vinyl ethers. The multifunctional crosslinkers are used in fluorinated optical coating and waveguide compositions to increase curing speed and crosslinking density.

  揭示了含有至少3个主要羟基的氟化多功能醇。这些醇可用于易于合成多功能交联剂，如丙烯酸酯、环氧树脂和乙烯醚。多功能交联剂用于氟化光学涂层和波导组合物中，以增加固化速度和交联密度。
• CATALYSTS FOR THE SYNTHESIS OF OXAZOLIDINONE COMPOUNDS
  申请人：Covestro Deutschland AG

  公开号：US20170088659A1

  公开（公告）日：2017-03-30

  The present invention relates to a method for the production of oxazolidinone compounds with low colour intensity, comprising the step of reacting an isocyanate compound with an epoxide compound in the presence of a catalyst which is free of halide anions. The invention further relates to a method for the production of oligooxazolidinone and/or polyoxazolidinone compounds, comprising the step of reacting a polyisocyanate compound with a polyepoxide compound in the presence of said catalyst. The invention further relates to oligooxazolidinone and/or polyoxazolidinone compounds with low colour intensity, obtainable by a method according to the invention.

  本发明涉及一种生产低颜色强度的噁唑烷酮化合物的方法，包括在无卤化物阴离子的催化剂存在下，将异氰酸酯化合物与环氧化合物反应的步骤。该发明还涉及一种生产寡噁唑烷酮和/或聚噁唑烷酮化合物的方法，包括在所述催化剂存在下，将聚异氰酸酯化合物与聚环氧化合物反应的步骤。该发明还涉及通过本发明方法获得的低颜色强度的寡噁唑烷酮和/或聚噁唑烷酮化合物。
• Biocompatible surgical compositions
  申请人：Hadba R. Ahmad

  公开号：US20070128153A1

  公开（公告）日：2007-06-07

  Biocompatible synthetic macromer compositions are provided including a first polymer having multiple functional groups and a second functionalized polyurethane prepolymer, which can be employed as an adhesive or sealant for medical/surgical uses.

  提供了生物相容性合成大分子物质组合，其中包括具有多个功能基团的第一聚合物和第二个功能化聚氨酯预聚物，可用作医疗/外科用途的粘合剂或密封剂。
• Bioabsorbable surgical composition
  申请人：Hadba R. Ahmad

  公开号：US20070128154A1

  公开（公告）日：2007-06-07

  Bioabsorbable macromer compositions are provided including a diisocyanate-functional bioabsorbable polymer. In some embodiments, the diisocyanate-functional bioabsorbable polymer can be combined with a functionalized polyol. The resulting bioabsorbable macromer composition can be employed as an adhesive or sealant for medical/surgical uses.

  提供了包括双异氰酸酯官能化生物可吸收聚合物的生物可吸收大分子组成物。在某些实施例中，双异氰酸酯官能化生物可吸收聚合物可以与官能化聚醇结合。所得到的生物可吸收大分子组成物可以用作医疗/外科用途的粘合剂或密封剂。
• Novel chemical compounds and their use
  申请人：Cianci Julia

  公开号：US20060128608A1

  公开（公告）日：2006-06-15

  The present invention relates to prodrugs of pharmaceutical moieties, more specifically antimicrobial agents, methods for their preparation, pharmaceutical formulations containing them and their use in the treatment of microbial infections.

  本发明涉及制药物质的前药，更具体地说是抗微生物药物，其制备方法，含有它们的制药配方以及它们在治疗微生物感染中的应用。