2,2,3,3-四氟丙胺 | 2069-86-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 2,2,3,3-四氟丙胺
• 英文名称: 2,2,3,3-tetrafluoropropioamide
• 英文别名: 3-hydro-2,2,3,3-tetrafluoropropionamide；2,2,3,3-tetrafluoropropionamide；2,2,3,3-tetrafluoro-propionic acid amide；2,2,3,3-Tetrafluor-propionsaeure-amid；2,2,3,3-Tetrafluoropropanamide
• CAS: 2069-86-5
• 化学式: C₃H₃F₄NO
• mdl: MFCD00083091
• 分子量: 145.057
• InChiKey: WJNHHTXAWAPICM-UHFFFAOYSA-N

物化性质

• 熔点：
  57 °C
• 沸点：
  86 °C(Press: 20 Torr)
• 密度：
  1.435±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2924199090

SDS

Name:	2 2 3 3-Tetrafluoropropanamide 97% Material Safety Data Sheet
Synonym:
CAS:	2069-86-5

Section 1 - Chemical Product MSDS Name:2 2 3 3-Tetrafluoropropanamide 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
2069-86-5	2,2,3,3-Tetrafluoropropanamide	97%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. 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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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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.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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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# 2069-86-5: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 57 - 59 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C3H3F4NO
Molecular Weight: 145

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen fluoride gas, acrid smoke and fumes, fluorine.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 2069-86-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,2,3,3-Tetrafluoropropanamide - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
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 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 2069-86-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 2069-86-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2069-86-5 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

• 作为反应物：
  描述：

  2,2,3,3-四氟丙胺 在 草酰氯 、 二甲基亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 2,2,3,3-tetrafluoropropionitrile
  参考文献：
  名称：

  Activated dimethyl sulfoxide dehydration of amide and its application to one-pot preparation of benzyl-type perfluoroimidates

  摘要：

  Various types of primary amides were treated under an activated dimethyl sulfoxide (DMSO) species, (COCl)(2)-DMSO and Et3N, as a dehydrating agent to obtain nitriles in excellent yield. This dehydration system was extended to a one-pot preparation of perfluoroimidates via volatile perfluoronitriles from perfluoroamides. Fifteen benzyl-type perfluoroimidates can be prepared in 70-90% yield as more stable imidates than the trichloro analogue. MPM- and DMPM-perfluoroimidates can be used to protect alcohols in place of the trichloroacetimidate with excellent chemical properties and in comparable yields. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)00304-6
• 作为产物：
  描述：

  2,2,3,3-tetrafluoropropionitrile 在 sodium hydroxide 作用下， 生成 2,2,3,3-四氟丙胺
  参考文献：
  名称：

  Jakubowitsch; Sergeew, Khimicheskaya Nauka i Promyshlennost, 1959, vol. 4, p. 682

  摘要：

  DOI：

文献信息

• Carbene chemistry. Part II. Migration in fluoroalkylcarbenes
  作者：J. H. Atherton、R. Fields、R. N. Haszeldine

  DOI：10.1039/j39710000366

  日期：——

  Photolysis of 4-diazo-1,1,1,2,2,3,3-heptafluoropentane gives heptafluoropropyl(methyl)carbene, in which migration of hydrogen takes place to give 3,3,4,4,5,5,5-heptafluoropent-1-ene in high yield. Migration of fluorine or of the pentafluoroethyl group is not observed. The photolysis of 3-diazo-1,1,2,2-tetrafluoropropane gives the corresponding carbene in which migration of the difluoromethyl group

  4-重氮-1,1,1,2,2,3,3-七氟戊烷的光解产生七氟丙基（甲基）卡宾，其中发生氢的迁移产生3,3,4,4,5,5,5 -七氟戊-1-烯的高收率。没有观察到氟或五氟乙基的迁移。3-重氮-1,1,2,2-四氟丙烷的光解反应得到相应的卡宾，其中二氟甲基的迁移是主要反应；据信其他次要产物是由处于激发态的环丙烷产生的，该环丙烷是通过插入γ- CH键形成的。
• 1,1-Dichloropolyfluoroalkanesulfenamides and Their Dehydrochlorination Effected by Triethylamine
  作者：V. M. Timoshenko、A. V. Rudnichenko、A. V. Tkachenko、Yu. G. Shermolovich

  DOI：10.1007/s11178-005-0155-5

  日期：2005.2

  Reactions of 1,1-dichloropolyfluoroalkanesulfenyl chlorides with ammonia afford 1,1-dichloropolyfluoroalkanesulfenamides that under the action of triethylamine are converted into 3,5-bispolyfluoroalkyl-1,2,4-thiadiazoles.

  1,1-Dichloropolfluoroalkanesulfenyl chlorides 与氨反应生成 1,1-Dichloropolfluoroalkanesulfenamides，在三乙胺的作用下转化为 3,5-双聚氟烷基-1,2,4-噻二唑。
• Preparation and reaction of 4-methoxybenzyl (MPM) and 3,4-dimethoxybenzyl (DMPM) perfluoroimidates
  作者：Noriyuki Nakajima、Miho Saito、Makoto Ubukata

  DOI：10.1016/s0040-4039(98)01121-6

  日期：1998.7

  We have succeeded in one-pot preparation of perfluoroimidates at -78 degrees C by employing the dehydration of perfluoroamide under the "activated" dimethyl sulfoxide (DMSO) species followed by in situ nitrile trapping with alcohols. MPM and DMPM perfluoroimidates can be used to protect alcohols in place of the trichloroacetimidate with excellent chemical properties and in comparable yields. (C) 1998 Elsevier Science Ltd. All rights reserved.
• Reactions of aromatic methyl ketimines with halonitriles as a new route to pyrimidines with two polyhaloalkyl groups
  作者：Vyacheslav Ya Sosnovskikh、Boris I Usachev、Gerd-Volker Röschenthaler

  DOI：10.1016/s0040-4020(01)01231-5

  日期：2002.2

  N-Isopropyl-(1-phenylethylidene)amine reacts with trichloroacetonitrile to give 1-azabutadiene derivative, which undergoes a double addition reaction with a variety of halonitriles affording fluoro- and chloro-containing pyrimidines. Pyrimidines with two poly-haloalkyl groups were obtained by the reaction of methyl ketimines with an excess of trichloroacetonitrile, trifluoroacetonitrile and 2,2,3,3-tetrafluoropropionitrile. (C) 2002 Elsevier Science Ltd. All rights reserved.
• Reactions of 1,3,3-trimethyl-3,4-dihydroisoquinolines with polyhaloalkanonitriles
  作者：V. Ya. Sosnovskikh、B. I. Usachev、Yu. V. Shklyaev

  DOI：10.1023/b:rucb.0000042281.14105.53

  日期：2004.6

  The reactions of 1,3,3-trimethyl-3,4-dihydroisoquinolines with halogenated nitriles afford beta-aminovinylimines, which undergo acid hydrolysis to form 1-(polyhaloacylmethylene)-3,3-dimethyl-3,4-dihydroisoquinolines.