十六烷基异氰酸酯 | 1943-84-6

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 十六烷基异氰酸酯
• 中文别名: 1-异氰酸十六酯
• 英文名称: hexadecyl isocyanate
• 英文别名: Hexadecyl-isocyanat；n-hexadecyl isocyanate；cetyl isocyanate；1-isocyanatohexadecane
• CAS: 1943-84-6
• 化学式: C₁₇H₃₃NO
• 分子量: 267.455
• InChiKey: GFLXBRUGMACJLQ-UHFFFAOYSA-N

物化性质

• 沸点：
  186-188 °C/14 mmHg (lit.)
• 密度：
  0.861 g/mL at 25 °C (lit.)
• 闪点：
  >230 °F
• 稳定性/保质期：
  对水敏感，避免与不相容材料、热源、湿空气或水接触。 可能还会与强氧化剂、酸、强碱、醇类或胺发生反应。

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  19
• 可旋转键数：
  15
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  29.4
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S23,S26,S28,S37/39
• 危险类别码：
  R20/21/22
• 海关编码：
  2929109000
• WGK Germany：
  3
• 危险品运输编号：
  UN 2206 6.1/PG 3
• 储存条件：
  密封储存于阴凉、干燥的库房，并在需要时冷藏至4°C。

SDS

Name:	Hexadecyl isocyanate 97% Material Safety Data Sheet
Synonym:	None
CAS:	1943-84-6

Section 1 - Chemical Product MSDS Name:Hexadecyl isocyanate 97% Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
1943-84-6	Hexadecyl isocyanate	97	217-736-5

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.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye irritation. Lachrymator (substance which increases the flow of tears).
Skin:
Causes skin irritation. Organic isocyanates can cause local irritation and allergic reactions.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. May cause irritation of the respiratory tract with burning pain in the nose and throat, coughing, wheezing, shortness of breath and pulmonary edema. 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. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed. 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. Wash mouth out with 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:
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. Use water spray to keep fire-exposed containers cool. Containers may explode when heated.
Extinguishing Media:
Use carbon dioxide or dry chemical. Use agent most appropriate to extinguish fire. Do NOT get water inside containers. Cool containers with flooding quantities of water until well after fire is out.

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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. Do not get water inside containers.

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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.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep refrigerated. (Store below 4C/39F.) 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# 1943-84-6: 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: 186-188 deg C @ 14mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: > 110 deg C (> 230.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: .8610
Molecular Formula: CH3(CH2)14CH2NCO
Molecular Weight: 267.46

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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:
Incompatible materials, dust generation, moisture, excess heat, exposure to moist air or water.
Incompatibilities with Other Materials:
Moisture, strong oxidizing agents, strong bases.
Hazardous Decomposition Products:
Hydrogen cyanide, nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 1943-84-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Hexadecyl isocyanate - 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 28A After contact with skin, wash immediately with
plenty of water.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
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# 1943-84-6: No information available.
Canada
CAS# 1943-84-6 is listed on Canada's NDSL List.
CAS# 1943-84-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1943-84-6 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  十六烷基异氰酸酯 在 乙醚 、 氢氟酸 作用下， 生成 hexadecyl-carbamoyl fluoride
  参考文献：
  名称：

  227.通过无水氟化氢对异氰酸酯的作用制备氨基甲酰氟

  摘要：

  DOI：

  10.1039/jr9450000864
• 作为产物：
  描述：

  hexadecanoyl azide 以72%的产率得到十六烷基异氰酸酯
  参考文献：
  名称：

  [EN] FLOW CHEMISTRY SYNTHESIS OF ISOCYANATES
  [FR] SYNTHÈSE CHIMIQUE EN FLUX D'ISOCYANATES

  摘要：

  该披露提供了诸如流动化学等安全环保的方法，用于合成异氰酸酯，例如亚甲基二苯基二异氰酸酯、甲苯二异氰酸酯、己二胺二异氰酸酯、异佛尔酮二异氰酸酯和四甲基二异氰酸酯。

  公开号：

  WO2021119606A1

文献信息

• N-Alkyl-2-[4-(trifluoromethyl)benzoyl]hydrazine-1-carboxamides and Their Analogues: Synthesis and Multitarget Biological Activity
  作者：Martin Krátký、Zsuzsa Baranyai、Šárka Štěpánková、Katarína Svrčková、Markéta Švarcová、Jiřina Stolaříková、Lilla Horváth、Szilvia Bősze、Jarmila Vinšová

  DOI：10.3390/molecules25102268

  日期：——

  mycobacteria (M. avium, M. kansasii). Reflecting these results, we prepared additional analogues of the most active carboxamide (n-hexyl derivative 2f). N-Hexyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine (4) exhibited the lowest minimum inhibitory concentrations within this study (MIC ≥ 62.5 µM), however, this activity is mild. All the compounds avoided cytostatic properties on two eukaryotic cell

  基于等排概念，我们设计并合成了同源 N-烷基-2-[4-(三氟甲基)苯甲酰基]肼-1-甲酰胺（从 C1 到 C18）作为潜在的抗菌剂和酶抑制剂。它们是通过三种合成方法从 4-（三氟甲基）苯甲酰肼中获得的，并通过光谱方法进行表征。通过 Ellman 方法筛选衍生物对乙酰胆碱酯酶 (AChE) 和丁酰胆碱酯酶 (BuChE) 的抑制作用。所有肼甲酰胺均显示出对 AChE 和 BuChE 的中度抑制，IC50 值分别为 27.04–106.75 µM 和 58.01–277.48 µM。一些化合物对 AChE 的 IC50 低于临床使用的药物卡巴拉汀。N-Tridecyl/pentadecyl-2-[4-(trifluoromethyl)benzoyl]hydrazine-1-carboxamides 被确定为最有效和选择性的 AChE 抑制剂。对于 BuChE 的抑制，从 C5 到 C7 的烷
• [EN] TRIPARTITE CONJUGATES CONTAINING A STRUCTURE INTERACTING WITH CELL MEMBRANE RAFTS AND THEIR USE<br/>[FR] CONJUGUES DE TRIPARTITE CONTENANT UNE STRUCTURE INTERAGISSANT AVEC DES RADEAUX DE MEMBRANES CELLULAIRES ET LEUR UTILISATION
  申请人：JADOLABS GMBH

  公开号：WO2005097199A1

  公开（公告）日：2005-10-20

  The present invention relates to a compound comprising a tripartite structure in the format C-B-A or C'-B'-A' wherein moiety A and moiety A' is a raftophile, moiety B and moiety B' is a linker, moiety C and moiety C' is a pharmacophore; and wherein moiety B and B' is a linker which has a backbone of at least 8 carbon atoms and wherein one or more of said carbon atoms may be replaced by nitrogen, oxygen or sulfur. Furthermore, specific medical and pharmaceutical uses of the compounds of the invention are disclosed.

  本发明涉及一种包含三部分结构的化合物，其格式为C-B-A或C'-B'-A'，其中部分A和部分A'是亲脂性基团，部分B和部分B'是连接基团，部分C和部分C'是药用基团；其中部分B和B'是具有至少8个碳原子骨架的连接基团，其中所述碳原子中的一个或多个可被氮、氧或硫取代。此外，还披露了该发明化合物的特定医学和药用用途。
• 奥沙利铂偶联前药、其制备方法及用途
  申请人：中国科学院上海药物研究所

  公开号：CN110872324B

  公开（公告）日：2021-09-14

  本发明公开了一种奥沙利铂偶联前药，其具有式1，式2所示结构，其中，R为‑NHR1或‑CH2CH2COR2；R1选自C2～C16烷基；R2为含有含二硫乙醇活性基团的小分子抑制剂NLG919的基团。本发明还公开了其制备方法及用途，其通过化学键构建的奥沙利铂与小分子偶联药，有望达到改善奥沙利铂疗效以及联合用药的目的。
• [EN] N4-HYDROXYCYTIDINE AND DERIVATIVES AND ANTI-VIRAL USES RELATED THERETO<br/>[FR] N4-HYDROXYCYTIDINE, SES DÉRIVÉS ET UTILISATIONS ANTI-VIRALES
  申请人：UNIV EMORY

  公开号：WO2016106050A1

  公开（公告）日：2016-06-30

  This disclosure relates to N4-hydroxycytidine derivatives, compositions, and methods related thereto. In certain embodiments, the disclosure relates to the treatment and prophylaxis of viral infections.

  这项披露涉及N4-羟基胞嘧啶衍生物、组合物以及相关方法。在某些实施方式中，该披露涉及治疗和预防病毒感染。
• Elimination-free powder coating crosslinking agents
  申请人：——

  公开号：US20040133035A1

  公开（公告）日：2004-07-08

  The present invention relates to novel blocked, elimination-free polyurethane (PUR) crosslinking agents, to a process for their preparation and to their use as starting components for the production of polyurethane plastics, especially as crosslinking agents for thermally crosslinkable powder coatings.

  本发明涉及新型的无阻聚氨酯（PUR）交联剂，涉及它们的制备过程以及它们作为聚氨酯塑料的生产起始组分的用途，特别是作为热交联粉末涂料的交联剂。