2,2,2-trifluoroethyl N-phenylcarbamate | 370-32-1

• 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: 2,2,2-trifluoroethyl N-phenylcarbamate
• CAS: 370-32-1
• 化学式: C₉H₈F₃NO₂
• mdl: MFCD00454227
• 分子量: 219.163
• InChiKey: DWYDJEHECXADHP-UHFFFAOYSA-N

物化性质

• 熔点：
  57 °C
• 沸点：
  195.6±40.0 °C(Predicted)
• 密度：
  1.354±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  5

SDS

Version 1.0
Regulation (EC) No 1907/2006

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1 - Product and Company Information

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Product Name 2,2,2-TRIFLUOROETHYL PHENYLCARBAMATE -
25MG

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2 - Hazards Identification

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SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT
May cause sensitization by skin contact.

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3 - Composition/Information on Ingredients

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Product Name CAS # EC no Annex I
Index Number
2,2,2-TRIFLUOROETHYL 370-32-1 None None
PHENYLCARBAMATE
Formula C9H8F3NO2

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4 - First Aid Measures

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AFTER INHALATION
If inhaled, remove to fresh air. If breathing becomes difficult,
call a physician.
AFTER SKIN CONTACT
In case of skin contact, flush with copious amounts of water for
at least 15 minutes. Remove contaminated clothing and shoes.
Call a physician.
AFTER EYE CONTACT
In case of contact with eyes, flush with copious amounts of
water for at least 15 minutes. Assure adequate flushing by
separating the eyelids with fingers. Call a physician.
AFTER INGESTION
If swallowed, wash out mouth with water provided person is
conscious. Call a physician.

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5 - Fire Fighting Measures
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EXTINGUISHING MEDIA
Suitable: Water spray. Carbon dioxide, dry chemical powder, or
appropriate foam.
SPECIAL RISKS
Specific Hazard(s): 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
Sweep up, place in a bag and hold for waste disposal. Avoid
raising dust. 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: Avoid breathing dust. Avoid
contact with eyes, skin, and clothing. Avoid prolonged or
repeated exposure.
STORAGE
Conditions of Storage: Keep tightly closed.

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8 - Exposure Controls / Personal Protection

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ENGINEERING CONTROLS
Mechanical exhaust required.
GENERAL HYGIENE MEASURES
Wash thoroughly after handling. Wash contaminated clothing before
reuse.
PERSONAL PROTECTIVE EQUIPMENT
Respiratory Protection: Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US)
or CEN (EU). Where risk assessment shows air-purifying respirators
are appropriate use a dust mask type N95 (US) or type P1 (EN 143)
respirator.
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 N/A
MP/MP Range N/A
Flash Point N/A
Flammability N/A
Autoignition Temp N/A
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Oxidizing Properties N/A
Explosive Properties N/A
Explosion Limits N/A
Vapor Pressure N/A
Partition Coefficient N/A
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.
Materials to Avoid: Oxidizing agents.
HAZARDOUS DECOMPOSITION PRODUCTS
Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide,
Nitrogen oxides, Hydrogen fluoride.
HAZARDOUS POLYMERIZATION
Hazardous Polymerization: Will not occur

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11 - Toxicological Information

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SENSITIZATION
Respiratory: May cause allergic respiratory reaction.
Skin: May cause allergic skin reaction.
SIGNS AND SYMPTOMS OF EXPOSURE
To the best of our knowledge, the chemical, physical, and
toxicological properties have not been thoroughly investigated.
ROUTE OF EXPOSURE
Skin Contact: May cause skin irritation.
Skin Absorption: May be harmful if absorbed through the skin.
Eye Contact: May cause eye irritation.
Inhalation: Material may be irritating to mucous membranes and
upper respiratory tract. May be harmful if inhaled.
Ingestion: May be harmful if swallowed.

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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
Contact a licensed professional waste disposal service to dispose
of this material. Dissolve or mix the material with a combustible
solvent and burn in a chemical incinerator equipped with an
afterburner and scrubber. Observe all federal, state, and local
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environmental regulations.

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14 - Transport Information

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RID/ADR
Non-hazardous for road transport.
IMDG
Non-hazardous for sea transport.
IATA
Non-hazardous for air transport.

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15 - Regulatory Information

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CLASSIFICATION AND LABELING ACCORDING TO EU DIRECTIVES
INDICATION OF DANGER: Xi
Irritant.
R-PHRASES: 43
May cause sensitization by skin contact.
S-PHRASES: 36/37
Wear suitable protective clothing and gloves.
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
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.
ALDRICH www.molbase.com

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2,2,2-trifluoroethyl N-phenylcarbamate 以 邻二氯苯 为溶剂， 生成 异氰酸苯酯
  参考文献：
  名称：

  Aguirre, I. de; Collot, J., Bulletin des Societes Chimiques Belges, 1989, vol. 98, # 1, p. 19 - 30

  摘要：

  DOI：
• 作为产物：
  描述：

  二苯二硫醚 在 CO 、 三乙胺 作用下， 生成 2,2,2-trifluoroethyl N-phenylcarbamate
  参考文献：
  名称：

  Promoted method for producing carbamates

  摘要：

  提供了一种生产碳酸酯的方法，该方法包括将有机一级或二级胺与一氧化碳源、含至少一个羟基的有机化合物以及硫、硒或碲源接触，在反应催化剂的存在下，且在至少选自以下组分的存在下：公式为R1-S-S-R2的硫化物，其中R1和R2选自由以下组分的成员：烷基、芳基、环烷基、烷基芳基、芳烷基、杂环、烯基、炔基、烷酰基、芳酰基、前述组分的卤代衍生物，以及在前述组分之一或多个碳原子被氧原子替换的衍生物。

  公开号：

  US04242520A1

文献信息

• Electrochemically induced Hofmann rearrangement
  作者：Yoshihiro Matsumura、Toshihide Maki、Yuki Satoh

  DOI：10.1016/s0040-4039(97)10324-0

  日期：1997.12

  Electrochemically induced Hofmann rearrangement under new solvent systems containing a variety of alcohols was developed. Since the reaction proceeds under mild conditions (neutral), a variety of carbamates possessing various alkoxy moieties could be easily prepared by this method. An epoxy functional group in the amide and alcohol parts remained intact during the electrolysis.

  开发了在包含多种醇的新溶剂系统下电化学诱导的霍夫曼重排。由于反应在温和的条件下（中性）进行，因此通过该方法可以容易地制备具有各种烷氧基部分的各种氨基甲酸酯。在电解过程中，酰胺和醇部分中的环氧官能团保持完整。
• A facile synthesis of unsymmetrical ureas
  作者：Andrey V. Bogolubsky、Sergey V. Ryabukhin、Sergey E. Pipko、Oleg Lukin、Alexander Shivanyuk、Dmytro Mykytenko、Andrey Tolmachev

  DOI：10.1016/j.tet.2011.03.101

  日期：2011.5

  versatile method for the synthesis of unsymmetrical ureas from readily available reagents is reported. In the first step trifluoroethylchloroformate is reacted with a stoichiometric amount of a primary amine to give an intermediate trifluoroethyl carbamate. The addition of a second amine (primary or secondary) to the trifluoroethyl carbamate furnishes corresponding unsymmetrical ureas in 75–85% yield. A

  报道了一种由容易获得的试剂合成不对称脲的简便而通用的方法。在第一步中，使三氟乙基氯甲酸酯与化学计算量的伯胺反应，得到中间体三氟乙基氨基甲酸酯。在氨基甲酸三氟乙酯中添加第二种胺（伯胺或仲胺）可提供相应的不对称脲，产率为75-85％。简单的后处理程序，获得的高收率和分离产物的纯度适用于具有高结构和功能多样性的不对称脲组合库的平行合成。
• Process for the preparation of urethanes
  申请人：Jacob Andreas

  公开号：US20090275771A1

  公开（公告）日：2009-11-05

  Urethanes are prepared by oxidative carbonylation of at least one amino compound in the presence of carbon monoxide, oxygen and organic, at least one hydroxyl-group-carrying compound. The carbonylation is carried out in the absence of halogen-containing promoters. The carbonylation is also carried out in the presence of a metal complex catalyst which contains neutral bidentate N-chelate ligands of the (N˜N) type, two monoanionic N,O-chelate ligands of the general type (N˜O) − or tetradentate dianionic chelate ligands (O˜N˜N˜O) 2− .

  聚氨酯是通过氧化羰基化至少一种氨基化合物来制备的，在碳一氧化碳、氧气和有机物存在下，至少还有一种带有羟基的化合物。羰基化是在不存在含卤素的促进剂的情况下进行的。羰基化也是在含有中性双齿N-螯合配体（N˜N）类型的金属络合物催化剂存在下进行的，这种配体是两个单负离子N,O-螯合配体的一般类型(N˜O) − 或四个双负离子螯合配体（O˜N˜N˜O） 2− 。
• FLUOROURETHANE AS AN ADDITIVE IN A PHOTOPOLYMER FORMULATION
  申请人：Rölle Thomas

  公开号：US20120231376A1

  公开（公告）日：2012-09-13

  The invention relates to a photopolymer formulation comprising matrix polymers, writing monomers, and photoinitiators, to the use of the photopolymer formulation for producing optical elements, in particular for producing holographic elements and images, to a method for illuminating holographic media made of the photopolymer formulation, and to special fluorourethanes.

  本发明涉及一种光聚合物配方，包括基质聚合物、写入单体和光引发剂，用于生产光学元件，特别是用于生产全息元件和图像，以及用于照明由该光聚合物配方制成的全息介质的方法，还涉及特殊的氟聚氨酯。
• Synthesis of aromatic carbamate via palladium catalyzed reductive carbonylation reaction of Nitro benzene: An alternative approach with different nucleophiles other than MeOH
  作者：Nurul Amin Sk、Sk Imran Ali、Sabera Bijani

  DOI：10.1016/j.jorganchem.2023.122651

  日期：2023.5

  The reactivity of palladium complex supported by phenanthroline ligand has been studied in the reductive carbonylation of PhNO2 using different solvents. Nucleophiles like, 2,4,6- trimethyl phenol (TMP) and 2,2,2-trifluoro ethanol (TFE) were employed to obtain a carbamate that is more readily pyrolyzed, these nucleophiles were selected based on their larger size. TMP as the nucleophilic reagent and

  在使用不同溶剂对 PhNO 2进行还原羰基化反应时，研究了菲咯啉配体支持的钯络合物的反应性。使用 2,4,6-三甲基苯酚 (TMP) 和 2,2,2-三氟乙醇 (TFE) 等亲核试剂来获得更容易热解的氨基甲酸酯，这些亲核试剂是根据它们的较大尺寸选择的。TMP 作为亲核试剂和甲苯作为溶剂导致硝基苯的最佳转化率和对氨基甲酸酯的优异选择性。另一方面，使用p-甲苯磺酸被证实对 Pd/菲咯啉催化的硝基苯羰基化反应有效，即使存在共溶剂或使用 MeOH 以外的其他亲核试剂，也能以高选择性生成相应的氨基甲酸酯。