2-(三氟甲基)丙烯 | 374-00-5

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氟化物
• 中文名称: 2-(三氟甲基)丙烯
• 英文名称: 2-(trifluoromethyl)propene
• 英文别名: 3,3,3-trifluoro-2-methylprop-1-ene；2-methyl-3,3,3-trifluoropropene；3,3,3-trifluoro-2-methylpropene；2-trifluoromethylpropene；3,3,3-trifluoro-2-methyl-propene；3,3,3-Trifluor-2-methyl-propen；1-Propene, 3,3,3-trifluoro-2-methyl-
• CAS: 374-00-5
• 化学式: C₄H₅F₃
• mdl: MFCD00042093
• 分子量: 110.079
• InChiKey: VJOAJCOCCYFXPR-UHFFFAOYSA-N

物化性质

• 熔点：
  2-8 °C
• 沸点：
  6°C
• 密度：
  1.039±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  2.2
• 危险品标志：
  F
• 安全说明：
  S16,S33,S9
• 危险类别码：
  R12
• 海关编码：
  2903399090
• 危险类别：
  2.2
• 危险品运输编号：
  UN 3161

SDS

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Section 1: Product Identification
Chemical Name: 2-Trifluoromethylpropene, min.97% (material sold in non-returnable cylinder)
CAS Registry Number: 374-00-5
Formula: CH3C(CF3)=CH2
EINECS Number: none
Chemical Family: organofluorine compounds
Synonym: 3,3,3-Trifluoro-2-methyl-propene

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title Compound 374-00-5 100% 2.5mg/m3 (as F) 2.5mg/m3 (as F)

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Section 3: Hazards Identification
Extremely flammable. Exposure to high concentrations in the atmosphere may cause drowsiness, fatigue and
Emergency Overview:
confusion.
Primary Routes of Exposure: Ingestion, inhalation, skin, eyes.
Eye Contact: May cause irritation of the eyes.
Skin Contact: May cause irritation of the skin.
Inhalation: May be irritating to the nose, mucous membranes and respiratory tract.
Ingestion: No specific information is available on the physiological effects of ingestion.
Acute Health Affects: May be irritating to skin, eyes and respiratory tract.
Product contains fluorine which under certain conditions of use, decomposition, or metabolism, may generate
Chronic Health Affects: fluoride ion, causing, nausea, vomiting, labored breathing, hypocalcaemia, deterioration of bone and tooth
structure, kidney and liver damage.
NTP: No
IARC: No
OSHA: No

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SECTION 4: First Aid Measures
Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
Eye Exposure:
assistance in keeping their eye lids open. Get immediate medical attention.
Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if
Skin Exposure:
irritation persists.
Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
Inhalation:
in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
Ingestion:
vomiting only if directed by medical personnel.

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SECTION 5: Fire Fighting Measures
Flash Point: no data
Autoignition Temperature: no data
Explosion Limits: no data
Extinguishing Medium: dry chemical, carbon dioxide, water fog, or foam.
If this product is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure
Special Fire Fighting Procedures:
self-contained breathing apparatus and full protective clothing.
Hazardous Combustion and If involved in a fire this material may emit toxic organic fumes and corrosive hydrogen fluoride.
Decomposion Products:
Unusual Fire or Explosion Hazards: Flammable. No unusual fire or explosion hazards

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SECTION 6: Accidental Release Measures
Spill and Leak Procedures: The material is a gas at room temperature. If released, leave the area until the gas disperses.

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SECTION 7: Handling and Storage
Handling and Storage: The material is stored in a cylinder.

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SECTION 8: Exposure Controls and Personal Protection
Eye Protection: Always wear approved safety glasses when handling a chemical substance in the laboratory.
Skin Protection: Wear protective gloves and clothing.
Ventilation: This product should only be handled in an efficient fume hood.
If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator
Respirator:
Protection Program to be in compliance with 29 CFR 1910.134.
Ventilation: This product should only be handled in an efficient fume hood.
Additional Protection: No additional protection required.

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SECTION 9: Physical and Chemical Properties
Color and Form: gas
Molecular Weight: 110.08
Melting Point: no data
Boiling Point: 6-7°C
Vapor Pressure: 25 psia, 20°C
Specific Gravity: no data
Odor: not determined
Solubility in Water: insoluble

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SECTION 10: Stability and Reactivity
Stability: air and moisture stable
Hazardous Polymerization: no hazardous polymerization
Conditions to Avoid: contact with ignition sources
Incompatibility: active metals
Decomposition Products: carbon dioxide, carbon monoxide, fluorinated by-products and organic fumes.

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SECTION 11: Toxicological Information
RTECS Data: No information available in the RTECS files.
Carcinogenic Effects: no data
Mutagenic Effects: no data
Tetratogenic Effects: no data

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SECTION 12: Ecological Information
Ecological Information: No information available

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SECTION 13: Disposal Considerations
Disposal: Dispose of according to local, state and federal regulations.

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SECTION 14: Transportation
Shipping Name (CFR): Compressed gases, flammable, N.O.S.
Hazard Class (CFR): 2.1
Additional Hazard Class (CFR): NA
Packaging Group (CFR): NA
UN ID Number (CFR): UN# 1954
Shipping Name (IATA): Compressed gas, flammable, N.O.S.
Hazard Class (IATA): 2.1
Additional Hazard Class (IATA): NA
Packaging Group (IATA): NA
UN ID Number (IATA): UN# 1954

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SECTION 15: Regulatory Information
TSCA: Not listed in the TSCA inventory.
SARA (Title 313): Title compound not listed.
Second Ingredient: none

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-(三氟甲基)丙烯 在 氯 、 三氯化铁 作用下， 生成 2,3-二氯-1,1,1-三氟-2-甲基丙烷
  参考文献：
  名称：

  The Preparation of Hexafluoroacetone

  摘要：

  DOI：

  10.1021/ja01164a070
• 作为产物：
  描述：

  2-三氟甲基-2-丙醇 在 苯甲酰氯 作用下， 生成 2-(三氟甲基)丙烯
  参考文献：
  名称：

  Swarts, Bulletin des Societes Chimiques Belges, 1927, vol. 36, p. 191

  摘要：

  DOI：
• 作为试剂：
  描述：

  cis-N-allyl-1-(2,5-difluorophenyl)-4-{[(trifluoromethyl)sulfonyl]amino}cyclohexanesulfonamide 、 三聚丙烯 在 RuCl2(1,3-dimesityl-imidazolidin-2-yl)(PCy3)(=CHPh) 2-(三氟甲基)丙烯 作用下， 以 二氯甲烷 为溶剂， 反应 72.0h， 生成 cis-1-(2,5-difluorophenyl)-N-(2E-butenyl)-4-{[(trifluoromethyl)sulfonyl]amino}cyclohexanesulfonamide
  参考文献：
  名称：

  Gamma-secretase inhibitors

  摘要：

  公式I的化合物：抑制γ-分泌酶对APP的处理，因此可用于治疗阿尔茨海默病。

  公开号：

  US20050075320A1

文献信息

• PYRIDINYL PYRAZOLES AS MODULATORS OF RORyT
  申请人：Janssen Pharmaceutica NV

  公开号：US20190382350A1

  公开（公告）日：2019-12-19

  The present invention comprises compounds of Formula I. wherein: R 1 , R 3 , R 4 , R 5 , R 6 , and Q are defined in the specification. The invention also comprises a method of treating or ameliorating a ROR-γ-t mediated syndrome, disorder or disease, including wherein the syndrome, disorder or disease is selected from the group consisting of rheumatoid arthritis, psoriatic arthritis, and psoriasis. The invention also comprises a method of modulating RORγt activity in a mammal by administration of a therapeutically effective amount of at least one compound of Formula I.

  本发明涵盖了Formula I的化合物。 其中： R1、R3、R4、R5、R6和Q在规范中有定义。 该发明还涵盖了一种治疗或改善ROR-γ-t介导的综合症、疾病或疾病的方法，包括综合症、疾病或疾病选自类风湿性关节炎、银屑病性关节炎和牛皮癣的群组。该发明还涵盖了通过给哺乳动物施用至少一种Formula I化合物的治疗有效量来调节RORγt活性的方法。
• PHENYL SUBSTITUTED PYRAZOLES AS MODULATORS OF RORgT
  申请人：Janssen Pharmaceutica NV

  公开号：US20190382349A1

  公开（公告）日：2019-12-19

  The present invention comprises compounds of Formula I. wherein: R 1 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , and Q are defined in the specification. The invention also comprises a method of treating or ameliorating a ROR-γ-t mediated syndrome, disorder or disease, including wherein the syndrome, disorder or disease is selected from the group consisting of rheumatoid arthritis, psoriatic arthritis, and psoriasis. The invention also comprises a method of modulating RORγt activity in a mammal by administration of a therapeutically effective amount of at least one compound of Formula I.

  本发明涵盖了Formula I的化合物。 其中： R1、R3、R4、R5、R6、R7、R8和Q在规范中有定义。 该发明还涵盖了一种治疗或改善ROR-γ-t介导的综合征、疾病或疾病的方法，包括综合征、疾病或疾病选自类风湿性关节炎、银屑病性关节炎和牛皮癣的群组。该发明还涵盖了通过给哺乳动物施用至少一种Formula I化合物的治疗有效量来调节RORγt活性的方法。
• PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORyT
  申请人：Janssen Pharmaceutica NV

  公开号：US20190382354A1

  公开（公告）日：2019-12-19

  The present invention comprises compounds of Formula I. wherein: R 1 , R 2 , R 3 , R 4 , R 5 , R a , R b , Q 1 , and Q 2 are defined in the specification. The invention also comprises a method of treating or ameliorating a ROR-γ-t mediated syndrome, disorder or disease, including wherein the syndrome, disorder or disease is selected from the group consisting of rheumatoid arthritis, psoriatic arthritis, and psoriasis. The invention also comprises a method of modulating RORγt activity in a mammal by administration of a therapeutically effective amount of at least one compound of Formula I.

  本发明涵盖了Formula I的化合物。 其中： R1、R2、R3、R4、R5、Ra、Rb、Q1和Q2在规范中有定义。 该发明还涵盖了一种治疗或改善ROR-γ-t介导的综合征、疾病或疾病的方法，包括综合征、疾病或疾病选自类风湿性关节炎、银屑病性关节炎和牛皮癣的方法。该发明还涵盖了通过给哺乳动物施用至少一种Formula I化合物的治疗有效量来调节RORγt活性的方法。
• Free-radical additions to unsaturated systems. Part XVII. Reaction of trifluoroiodomethane with mixtures of ethylene and vinyl fluoride and of ethylene and propene
  作者：R. N. Haszeldine、D. W. Keen、A. E. Tipping

  DOI：10.1039/j39700000414

  日期：——

  : 10. Thermal reactions of trifluoroiodomethane at 200° with the olefins trifluoroethylene, hexafluoropropene, and vinyl chloride give appreciable amounts of 2 : 1 and higher telomers in addition to the 1 : 1 adducts. The extent of telomer formation is much reduced in the case of trifluoroethylene when the reaction is carried out in the presence of added iodine. Competitive reactions of trifluoroiodomethane

  三氟碘甲烷与氟乙烯的热反应可得到两种异构体1：1加合物1,1,1,3-四氟-3-碘丙烷和1,1,1,2-四氟-3-碘丙烷的混合物的高收率三氟碘甲烷与丙烯在200°下的反应比例为89:11。根据比例，1：1的加合物1,1,1-三氟-3-碘丁烷和1-碘-2-三氟甲基丙烷的混合物的收率高90：10。三氟碘甲烷在200°C与烯烃三氟乙烯，六氟丙烯和氯乙烯的热反应除可加1：1的加合物外，还可得到2：1和更高的端粒数量。当在添加的碘存在下进行反应时，在三氟乙烯的情况下，端粒形成的程度大大降低。
• Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same
  申请人：Kelly G. Michael

  公开号：US20060194801A1

  公开（公告）日：2006-08-31

  Compounds are disclosed that have a formula represented by the following: The compounds may be prepared as pharmaceutical compositions, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, pain, inflammation, traumatic injury, and others.

  抱歉，我无法直接提供翻译结果。但我可以帮助您翻译这段文字。这段文字的中文翻译如下： 揭示了具有以下表示的公式的化合物： 这些化合物可以制备为药物组合物，并可用于预防和治疗包括人类在内的哺乳动物的各种疾病，例如疼痛、炎症、创伤性损伤等。

表征谱图