三苯基膦氢溴酸盐 | 6399-81-1

• 物质功能分类: 有机原料 - 有机膦化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 三苯基膦氢溴酸盐
• 中文别名: 三苯基溴化鏻；三苯基磷氢溴酸盐；三苯基溴化磷
• 英文名称: triphenylphosphine hydrobromide
• 英文别名: triphenylphosphonium bromide；triphenylphosphonium hydrobromide；triphenylphosphine hydrogen bromide；PPh₃*HBr；triphenylphosphane hydrobromide；TPHB；Hydron;triphenylphosphane;bromide；hydron;triphenylphosphane;bromide
• CAS: 6399-81-1
• 化学式: Br*C₁₈H₁₆P
• mdl: MFCD00035107
• 分子量: 343.203
• InChiKey: CMSYDJVRTHCWFP-UHFFFAOYSA-N

物化性质

• 熔点：
  196 °C (dec.) (lit.)
• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）
• 稳定性/保质期：
  常温常压下稳定，是一种白色晶体状粉末。

计算性质

• 辛醇/水分配系数(LogP)：
  5.11
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  1
• 氢受体数：
  0

安全信息

• 危险等级：
  6.1
• 危险品标志：
  C
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R34
• WGK Germany：
  3
• 海关编码：
  29310095
• 危险品运输编号：
  UN 3261 8/PG 3
• 危险类别：
  6.1
• 包装等级：
  III
• 危险性防范说明：
  P260,P280,P301+P312,P301+P330+P331,P303+P361+P353,P304+P340,P305+P351+P338,P310
• 危险性描述：
  H302,H314
• 储存条件：
  请将药品存放在避光、阴凉干燥处，并密封保存。

SDS

Name:	Triphenylphosphonium Bromide 99% Material Safety Data Sheet
Synonym:	None Known
CAS:	6399-81-1

Section 1 - Chemical Product MSDS Name:Triphenylphosphonium Bromide 99% Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
6399-81-1	Triphenylphosphonium Bromide	99%	229-012-6

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.Corrosive.
Potential Health Effects
Eye:
Causes eye burns. May cause chemical conjunctivitis and corneal damage.
Skin:
Causes skin burns. May cause skin rash (in milder cases), and cold and clammy skin with cyanosis or pale color.
Ingestion:
May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns. May cause perforation of the digestive tract. May cause cardiac disturbances. May cause central nervous system depression. May cause systemic effects.
Inhalation:
Causes chemical burns to the respiratory tract. Aspiration may lead to pulmonary edema. May cause cardiac abnormalities. May cause systemic effects. Inhalation at high concentrations may cause CNS depression and asphixiation.
Chronic:
Effects may be delayed.

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Section 4 - FIRST AID MEASURES
Eyes: Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes).
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Non-combustible, substance itself does not burn but may decompose upon heating to produce irritating, corrosive and/or toxic fumes. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use water spray to cool fire-exposed containers. Substance is noncombustible; use agent most appropriate to extinguish surrounding fire. Do NOT get water inside containers.

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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.

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Section 7 - HANDLING and STORAGE
Handling:
Use only in a well-ventilated area. Minimize dust generation and accumulation. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Discard contaminated shoes.
Storage:
Keep container closed when not in use. Store in a cool, dry area away from incompatible substances.

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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# 6399-81-1: 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 and clothing 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: Powder
Color: white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 196.00 - 199.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C18H16BrP
Molecular Weight: 343.20

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of phosphorus, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 6399-81-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Triphenylphosphonium Bromide - 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: CORROSIVE SOLID, N.O.S.*
Hazard Class: 8
UN Number: 1759
Packing Group: II
IMO
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
Packing Group: II
RID/ADR
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
Packing group: II

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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 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 6399-81-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 6399-81-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 6399-81-1 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

制备方法与用途

用途

三苯基膦氢溴酸盐是一种膦盐类化合物，在有机合成中通常被用作膦源参与膦化反应。它可与含有活性羟基的化合物发生反应，生成相应的季膦盐衍生物，并广泛应用于季膦盐类化合物的制备。此外，在有机膦化合物催化的合成方法学基础研究中，三苯基膦氢溴酸盐也有较好的应用。

应用

三苯基膦氢溴酸盐主要用于合成和制备季膦盐类化合物。在化学反应中，它能够与具有活性羟基的化合物发生反应，生成相应的季膦盐衍生物。这类化合物具有良好的化学稳定性，并且在催化反应中表现出一定的催化活性。它们可以作为配体或催化剂参与多种有机转化反应，如还原反应、偶联反应等。此外，季膦盐还广泛应用于金属有机化学、配位化学和有机合成等领域。

反应信息

• 作为反应物：
  描述：

  三苯基膦氢溴酸盐 在 水 作用下， 以 甲醇 为溶剂， 生成 (7-hydroxy-3,7-dimethyl-oct-2-enyl)-triphenyl-phosphonium; bromide
  参考文献：
  名称：

  Total Synthesis of Spirilloxanthin, Dehydrolycopene, and 1,1'-Dihydroxy-1,2,1',2'-tetrahydrolycopene¹

  摘要：

  DOI：

  10.1021/jo01045a057
• 作为产物：
  描述：

  三苯基膦 在 氢溴酸 作用下， 反应 0.08h， 以97%的产率得到三苯基膦氢溴酸盐
  参考文献：
  名称：

  Triphenylphosphonium Bromide: A Convenient and Quantitative Source of Gaseous Hydrogen Bromide

  摘要：

  在回流二甲苯中对三苯基溴化膦进行热解，可得到定量的无水溴化氢。

  DOI：

  10.1055/s-1988-27502
• 作为试剂：
  描述：

  N-acetylneuraminic acid methyl ester 在 三氟甲磺酸三甲基硅酯 、 硫酸 、 sodium methylate 、 三苯基膦氢溴酸盐 、 sodium hydride 、 potassium carbonate 、 对甲苯磺酸 、 Selectfluor 作用下， 以 甲醇 、 二氯甲烷 、 水 、 乙酸乙酯 、 N,N-二甲基甲酰胺 、 丙酮 、 乙腈 、 mineral oil 为溶剂， 反应 36.25h， 生成 methyl (2S,3R,4R,5S,6R)-5-acetamido-2-((5-(benzyl((benzyloxy)carbonyl)amino)pentyl)oxy)-4-(benzyloxy)-6-((1R,2R)-1-(benzyloxy)-2,3-dihydroxypropyl)-3-fluorotetrahydro-2H-pyran-2-carboxylate
  参考文献：
  名称：

  氟化唾液酸疫苗可预防乙型和丙型脑膜炎

  摘要：

  受细菌荚膜多糖 (CPS) 中 α-(2,9)-唾液酸表位特异性的启发，双氟化二糖已被验证可作为针对脑膜炎奈瑟菌 C 和/或 B 血清群的疫苗先导物。在药物发现中，这种分子编辑方法有多种用途，从控制 α-选择性化学唾液酸化到减轻竞争性消除。将二唾液酸苷与两种载体蛋白（CRM197 和 PorA）结合，可生成半合成疫苗；然后在六组每组六只小鼠中进行了研究。比较形成的抗体的个体水平并将其分类为高度聚糖特异性和保护性的。所有糖缀合物均诱导稳定且长期的 IgG 反应，并实现与天然 CPS 表位的结合。生成的抗体对 MenC 和/或 MenB 具有保护作用；这已通过 SBA 和 OPKA 测定在体外得到验证。通过将 MenC 的氟化聚糖表位与 MenB 的外细胞膜蛋白合并，创建了针对这两种血清群的二价疫苗。预计这种合成的氟化二唾液酸生物等排体作为有效抗原的验证将开辟新的治疗途径。

  DOI：

  10.1021/jacs.4c03179

文献信息

• Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20150231142A1

  公开（公告）日：2015-08-20

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及含有上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。
• Dual Pharmacophores - PDE4-Muscarinic Antagonistics
  申请人：Callahan James Francis

  公开号：US20090203657A1

  公开（公告）日：2009-08-13

  The present invention is directed to novel compounds of Formula (I) and pharmaceutically acceptable salts thereof, pharmaceutical compositions and their use as dual chromaphores having inhibitory activity against PDE4 and muscarinic acetylcholine receptors (mAChRs), and thus being useful for treating respiratory diseases.

  本发明涉及具有式（I）的新化合物及其药用盐，药物组合物及其用作对PDE4和肌胆碱受体（mAChRs）具有抑制活性的双色素，因此可用于治疗呼吸道疾病。
• [EN] DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS<br/>[FR] PHARMACOPHORES DUALS, ANTAGONISTES DES RÉCEPTEURS MUSCARINIQUES ET INHIBITEURS DE L'ACTIVITÉ PDE4
  申请人：GLAXO GROUP LTD

  公开号：WO2009100169A1

  公开（公告）日：2009-08-13

  The present invention is directed to novel compounds of Formula's (I) - (VI), and pharmaceutically acceptable salts thereof, pharmaceutical compositions and their use in therapy, for example as inhibitors of phosphodiesterase type IV (PDE4) and as antagonists of muscarinic acetylcholine receptors (mAChRs), in the treatment of and/or prophylaxis of respiratory diseases, including inflammatory and/or allergic diseases such as chronic obstructive pulmonary disease (COPD), asthma, rhinitis (e.g. allergic rhinitis), atopic dermatitis or psoriasis.

  本发明涉及式(I) - (VI)的新化合物，以及其药学上可接受的盐、药物组合物及其在治疗中的应用，例如作为磷酸二酯酶IV (PDE4)的抑制剂和肌碱乙酰胆碱受体 (mAChRs)的拮抗剂，用于治疗和/或预防呼吸道疾病，包括炎症性和/或过敏性疾病，如慢性阻塞性肺病（COPD）、哮喘、鼻炎（例如过敏性鼻炎）、特应性皮炎或银屑病。
• Syntheses of Chlorinated Bisbibenzyls from Bryophytes
  作者：Andreas Speicher、Jürgen Kolz、Rufino Paulino Sambanje

  DOI：10.1055/s-2002-35629

  日期：——

  Chlorinated bisbibenzyls of the isoplagiochin type detected in different bryophyte species were synthesized by an efficient and flexible unit construction system making extensive use of Suzuki and Wittig protocols.

  在检测到的不同苔藓植物中的异型二苯并双芴类的氯化物，是通过一种高效的、灵活的单元构建系统合成的，该系统广泛采用了铃木和维蒂希方案。
• COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES
  申请人：Van Goor Fredrick F.

  公开号：US20110098311A1

  公开（公告）日：2011-04-28

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及包含上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。