3-溴-1，1，1-三氟丙烷 | 460-32-2

• 物质功能分类: 有机原料 - 有机氟化合物 - 氟丙烷系列
• 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: 3-溴-1，1，1-三氟丙烷
• 中文别名: 3-溴-1,1,1-三氟丙烷；3-活-1,1,1-三氟丙烷；3-溴-1.1.1-三氟丙烷；1-溴-3,3,3-三氟丙烷
• 英文名称: 3-bromo-1,1,1-trifluoropropane
• 英文别名: 1-bromo-3,3,3-trifluoropropane；1-Brom-3,3,3-trifluorpropan；3,3,3-trifluoropropyl bromide；1-bromo-2-trifluoromethylethane
• CAS: 460-32-2
• 化学式: C₃H₄BrF₃
• mdl: MFCD00042193
• 分子量: 176.964
• InChiKey: SAUGMJLWYLQPEM-UHFFFAOYSA-N

物化性质

• 熔点：
  62-63℃
• 沸点：
  62 °C
• 密度：
  1.662
• 闪点：
  >110°C

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  7
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT, OZONE DEPLETER
• 危险品标志：
  Xi,N
• 安全说明：
  S26,S37/39,S59
• 危险类别码：
  R59
• 海关编码：
  2903799090

SDS

Name:	3-Bromo-1 1 1-trifluoropropane Material Safety Data Sheet
Synonym:	1-Bromo-3,3,3-trifluoropropan
CAS:	460-32-2

Section 1 - Chemical Product MSDS Name:3-Bromo-1 1 1-trifluoropropane Material Safety Data Sheet
Synonym:1-Bromo-3,3,3-trifluoropropan

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
460-32-2	3-Bromo-1,1,1-trifluoropropane	100.0	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
No information regarding eye irritation and other potential effects was found.
Skin:
No information regarding skin irritation and other potential effects was found.
Ingestion:
The toxicological properties of this substance have not been fully investigated.
Inhalation:
The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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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 immediately.
Skin:
Get medical aid. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
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:

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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 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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed.
Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 460-32-2: 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:
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: Liquid
Color: Not available.
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 63.5 deg C @ 760.00mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: > 230 deg C (> 446.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.662
Molecular Formula: C3H4BrF3
Molecular Weight: 176.96

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizers, acids, bases, and metals Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen fluoride gas, hydrogen bromide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 460-32-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Bromo-1,1,1-trifluoropropane - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 16 Keep away from sources of ignition - No
smoking.
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# 460-32-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 460-32-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 460-32-2 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

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  1,1,1-三氟丙烷	1,1,1-trifluoropropane	421-07-8	C3H5F3	98.0679

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  3,3-二溴-1,1,1-三氟丙烷	3,3-dibromo-1,1,1-trifluoro-propane	7125-94-2	C3H3Br2F3	255.86
  1,1,1-三氟丙烷	1,1,1-trifluoropropane	421-07-8	C3H5F3	98.0679
  3-溴-3-氯-1,1,1-三氟丙烷	3-bromo-3-chloro-1,1,1-trifluoro-propane	460-66-2	C3H3BrClF3	211.409

反应信息

• 作为反应物：
  描述：

  3-溴-1，1，1-三氟丙烷 在 氢氧化钾 作用下， 生成 3,3,3-三氟丙烯
  参考文献：
  名称：

  Free Radical Additions Involving Fluorine Compounds. IV. The Addition of Dibromodifluoromethane to Some Fluoroölefins¹

  摘要：

  DOI：

  10.1021/ja01615a033
• 作为产物：
  描述：

  3,3,3-三氟丙烯 在 氢溴酸 作用下， 生成 3-溴-1，1，1-三氟丙烷
  参考文献：
  名称：

  Influence of a CF₃ Group on an Adjacent Double Bond. III. Free Radical Additions¹

  摘要：

  DOI：

  10.1021/ja01156a004
• 作为试剂：
  描述：

  sodium hydrosulfide monohydrate 、 3-[7-[[2-(4-Fluorophenyl)cyclopropyl]amino]-5-[(3,3,3-trifluoropropyl)thio]-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)-cyclopentane-1,2-diol 、 溶剂黄146 、 二甲基亚砜 在 乙酸乙酯 、 甲苯 、 N,N-二甲基甲酰胺 、 N,N-二异丙基乙胺 、 3-溴-1，1，1-三氟丙烷 、 Brine 、 SiO2 、 Isohexane ethyl acetate 作用下， 以 Brine 为溶剂， 反应 2.0h， 以to afford the subtitle compound (1.4 g)的产率得到6-[7-[[2-(4-Fluorophenyl)cyclopropyl]amino]-5-[(3,3,3-trifluoropropy)thio]-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl)-tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxole-4-methanol
  参考文献：
  名称：

  Trisubstituted triazolopyrimidines for use in platelet aggregation inhibition

  摘要：

  本发明提供了新的三唑并[4,5-d]嘧啶化合物，它们的用途作为药物、含有它们的组合物以及它们的制备方法。

  公开号：

  US20080214812A1

文献信息

• [EN] PHOSPHONOOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE<br/>[FR] DERIVES DE PHOSPHONOOXY QUINAZOLINE ET LEUR UTILISATION PHARMACEUTIQUE
  申请人：ASTRAZENECA AB

  公开号：WO2004058781A1

  公开（公告）日：2004-07-15

  Quinazoline derivatives of formula (I) wherein A is 5-membered heteroaryl containing a nitrogen atom and one or two further nitrogen atoms; compositions containing them, processes for their preparation and their use in therapy.

  式(I)中的喹唑啉衍生物，其中A是含有一个氮原子和一个或两个进一步氮原子的5-成员杂环芳基；含有它们的组合物，其制备方法以及它们在治疗中的用途。
• [EN] FUSED TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE<br/>[FR] COMPOSÉS TRYCICLIQUES CONDENSÉS ET UTILISATIONS CORRESPONDANTES EN MÉDECINE
  申请人：SUNSHINE LAKE PHARMA CO LTD

  公开号：WO2018219356A1

  公开（公告）日：2018-12-06

  The present invention relates to a fused tricyclic compound and use thereof as a medicament, in particular as a medicament for the treatment and/or prevention of hepatitis B. Specifically, the invention relates to a compound having Formula (I) or a stereoisomer, a tautomer, an N-oxide, a solvate, a metabolite, a pharmaceutically acceptable salt or a prodrug thereof, wherein each variate is as defined in specification. The invention also relates to the use of the compound having Formula (I) or a stereoisomer, a tautomer, an N-oxide, a solvate, a metabolite, a pharmaceutically acceptable salt or a prodrug thereof as a medicament, especially as a medicament for the treatment and/or prevention of hepatitis B.

  本发明涉及一种融合三环化合物及其作为药物的用途，特别是作为治疗和/或预防乙型肝炎的药物。具体地，本发明涉及具有化学式（I）或其立体异构体、互变异构体、N-氧化物、溶剂合物、代谢物、药学上可接受的盐或其前药的化合物，其中每个变量如规范中所定义。本发明还涉及将具有化学式（I）或其立体异构体、互变异构体、N-氧化物、溶剂合物、代谢物、药学上可接受的盐或其前药用作药物，特别是作为治疗和/或预防乙型肝炎的药物。
• [EN] NITRILE COMPOUND AND ITS USE IN PEST CONTROL<br/>[FR] COMPOSE NITRILE ET SON UTILISATION POUR LE CONTROLE DES INSECTES ET ANIMAUX NUISIBLES
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2005063694A1

  公开（公告）日：2005-07-14

  The present invention provides a nitrile compound represented by the formula (I): wherein R represents C1-C4 fluoroalkyl, Q represents halogen, C1-C11 alkyl optionally substituted with halogen, C2-C6 alkenyl group optionally substituted with halogen, C2-C6 alkynyl optionally substituted with halogen, C3-C7 cycloalkyl optionally substituted with halogen or (C3-C7 cycloalkyl optionally substituted with halogen)C1-C4 alkyl, which has excellent control effect against pests.

  本发明提供了一种由式(I)表示的腈化合物：其中R代表C1-C4氟烷基，Q代表卤素，C1-C11烷基可选择地取代卤素，C2-C6烯基基团可选择地取代卤素，C2-C6炔基可选择地取代卤素，C3-C7环烷基可选择地取代卤素或(C3-C7环烷基可选择地取代卤素)C1-C4烷基，对害虫具有出色的控制效果。
• Aryl and biaryl piperidines with MCH modulatory activity
  申请人：PHARMACOPEIA, INC.

  公开号：US20030013720A1

  公开（公告）日：2003-01-16

  In one embodiment, this invention provides a novel class of compounds as antagonists of the MCH receptor, methods of preparing such compounds, pharmaceutical compositions containing one or more of the compounds, methods of preparing pharmaceutical formulations comprising one or more such compounds, and methods of treatment, prevention or amelioration or one or more of diseases associated with the MCH receptor. An illustrative inventive compound is shown below: 1

  在一个实施例中，这项发明提供了一类新型化合物，作为MCH受体的拮抗剂，包括制备这类化合物的方法，含有一种或多种这类化合物的药物组合物，制备包含一种或多种这类化合物的药物配方的方法，以及治疗、预防或改善与MCH受体相关的一种或多种疾病的方法。下面展示了一个说明性的创新化合物： 1
• [EN] ALKYL DIHYDROQUINOLINE SULFONAMIDE COMPOUNDS<br/>[FR] COMPOSÉS SULFONAMIDES DE DIHYDROQUINOLINE D'ALKYLE
  申请人：AMGEN INC

  公开号：WO2017106871A1

  公开（公告）日：2017-06-22

  The present invention provides compounds of Formula (I), and pharmaceutically acceptable salts thereof, that are inhibitors of voltage-gated sodium channels, in particular Nav1.7. The compounds are useful for the treatment of diseases associated with the activity of sodium channels such as pain disorders, cough, and itch. Also provided are pharmaceutical compositions containing compounds of the present invention.

  本发明提供了式（I）的化合物及其药学上可接受的盐，这些化合物是钠通道的抑制剂，特别是Nav1.7。这些化合物对于治疗与钠通道活性相关的疾病，如疼痛障碍、咳嗽和瘙痒，是有用的。还提供了含有本发明化合物的药物组合物。

表征谱图