苯氧基亚磷酰二氯 | 3426-89-9

• 物质功能分类: 化学试剂 - 有机试剂 - 卤化磷
• 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: 苯氧基亚磷酰二氯
• 中文别名: 二氯亚磷酸苯酯
• 英文名称: phenyl phosphorodichloridite
• 英文别名: Phosphorodichloridous acid, phenyl ester；dichloro(phenoxy)phosphane
• CAS: 3426-89-9
• 化学式: C₆H₅Cl₂OP
• mdl: MFCD00041721
• 分子量: 194.985
• InChiKey: LXHWDUISRBUGRA-UHFFFAOYSA-N

物化性质

• 沸点：
  99 °C (12 mmHg)
• 密度：
  1.359
• 稳定性/保质期：
  1. 避免与不相容材料、空气、湿空气或水接触。 2. 该物质具有刺激性气味，对潮湿环境敏感，不应与强碱或强氧化剂一同存放。在减压条件下可以进行重蒸纯化。

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险品标志：
  T
• 安全说明：
  S26,S28A,S36/37/39,S38,S45
• 危险类别码：
  R22,R34,R23
• 海关编码：
  2909309090
• 储存条件：
  密封保存，存放在阴凉干燥的仓库中，并远离腐蚀性物质。

SDS

Name:	Phenyl Phosphorodichloridite Material Safety Data Sheet
Synonym:	Phosphorodichloridous Acid, Phenyl Ester; Dichlorophenoxyphosphine
CAS:	3426-89-9

Section 1 - Chemical Product MSDS Name:Phenyl Phosphorodichloridite Material Safety Data Sheet
Synonym:Phosphorodichloridous Acid, Phenyl Ester; Dichlorophenoxyphosphine

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
3426-89-9	Phosphorodichloridous Acid, Phenyl Est	ca 100	222-330-6

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.Corrosive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
No information found.

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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:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. 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.
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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Do not get on skin or in eyes. Avoid ingestion and inhalation. Do not ingest or inhale. Use with adequate ventilation. Discard contaminated shoes.
Storage:
Store in a cool, dry place. Keep container closed when not in use.
Corrosives area.

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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. Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 3426-89-9: Personal Protective Equipment Eyes: Wear chemical splash goggles. 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 minimize contact with skin.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: clear colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 99 deg C @ 12.00mm Hg
Freezing/Melting Point: 0 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.3590g/cm3
Molecular Formula: C6H5Cl2OP
Molecular Weight: 194.98

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Not available.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Not available.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 3426-89-9: TD4440000 LD50/LC50:
CAS# 3426-89-9: Inhalation, rat: LC50 = >2080 mg/m3/1H; Oral, rat: LD50 = 681 mg/kg.
Carcinogenicity:
Phosphorodichloridous Acid, Phenyl Ester - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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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 LIQUID, N.O.S.*
Hazard Class: 8
UN Number: 1760
Packing Group: III
IMO
Shipping Name: CORROSIVE LIQUID, N.O.S.
Hazard Class: 8
UN Number: 1760
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE LIQUID, N.O.S.
Hazard Class: 8
UN Number: 1760
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
WGK (Water Danger/Protection)
CAS# 3426-89-9: No information available.
Canada
CAS# 3426-89-9 is listed on Canada's NDSL List.
CAS# 3426-89-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3426-89-9 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

类别：腐蚀物品
毒性分级：高毒
急性毒性：静脉-小鼠 LD50: 100 毫克/公斤
可燃性危险特性：可燃；水中分解产生有毒氯化物气体；燃烧时会产生有毒的磷氧化物和氯化物烟雾
储运特性：应存放在通风、低温和干燥的库房中，并与氧化剂、发孔剂及氰化物分开存放
灭火剂：建议使用砂土或二氧化碳进行灭火

反应信息

• 作为反应物：
  描述：

  苯氧基亚磷酰二氯 在 吡啶 作用下， 以 Petroleum ether 为溶剂， 反应 1080.0h， 生成 亚磷酸三苯酯
  参考文献：
  名称：

  准phosph中间体。第3部分。在新戊基二苯基次膦酸酯，二戊戊基苯基亚膦酸酯和亚磷酸三戊酯基亚膦酸酯与卤代甲烷的反应中，卤代烷氧基phosph的制备，结构和反应性以及苯氧基取代基对Michaelis-Arbuzov反应中烷基-氧裂变机理的影响

  摘要：

  新戊基二苯基次膦酸酯与氯甲烷，溴甲烷或碘甲烷的反应以及二戊基苯基次膦酸酯与溴甲烷或碘甲烷的反应产生结晶的烷氧基phosph卤化物。在氘代氯仿中，这些中间体通过一阶过程分解，该过程涉及速率确定卤化phospho离子对的崩溃以及烷基-氧键的S N 2型裂变。氯化物，溴化物和碘化物的比率相似。在离子化程度更高的介质（氘代乙腈）中，离解可导致中间体稳定并偏离一级分解。先前确定的溴化物X射线衍射数据，以及一系列Ph中间体的氘代氯仿中的相对分解速率n（RO） 3– n [MeX] -（n= 0、1或2）表明，烷氧基phosph中间体的稳定性和反应性很大程度上取决于配体的诱导效应而不是介晶效应。在某些情况下，磷上苯氧基取代基的存在可能导致烷基-氧键发生S N 1型裂变。

  DOI：

  10.1039/p29830001363
• 作为产物：
  描述：

  亚磷酸二苯酯 在 三氯化硼 作用下， 生成 苯氧基亚磷酰二氯
  参考文献：
  名称：

  796.氯化硼与亚磷酸二烷基酯或二芳基磷酸的相互作用

  摘要：

  DOI：

  10.1039/jr9600004037
• 作为试剂：
  描述：

  苯甲酰-甘氨酰基-氨基乙酸 、 2-胺基乙酸乙酯 在 苯氧基亚磷酰二氯 作用下， 生成 N-benzoyl-glycyl=>glycyl=>glycine ethyl ester
  参考文献：
  名称：

  Low Power Design for ASIC Cores

  摘要：

  使用半定制ASIC设计方法开发低功耗DSP核心，用于移动（电池供电）应用。采用不同的低功耗设计技术，包括双电压、低功耗库元件、准确的功耗报告、伪微码、一次性过渡逻辑、时钟门控等。

  DOI：

  10.1155/2001/90464

文献信息

• [EN] HCV POLYMERASE INHIBITORS<br/>[FR] INHIBITEURS DE LA POLYMÉRASE DU VHC
  申请人：MEDIVIR AB

  公开号：WO2015056213A1

  公开（公告）日：2015-04-23

  The invention provides compounds of the formula (I) wherein B is a nucleobase selected from the groups (a) to (d): and the other variables are as defined in the claims, which are of use in the treatment or prophylaxis of hepatitis C virus infection, and related aspects.

  这项发明提供了公式（I）中的化合物，其中B是从（a）到（d）组中选择的核碱基：其他变量如索权中所定义，这些化合物可用于治疗或预防丙型肝炎病毒感染及相关方面。
• [EN] HCV POLYMERASE INHIBITORS<br/>[FR] INHIBITEURS DE VHC POLYMÉRASE
  申请人：MEDIVIR AB

  公开号：WO2013084165A1

  公开（公告）日：2013-06-13

  The invention provides compounds of the formula:(I) which are of use in the treatment or prophylaxis of hepatitis C virus infection, and related aspects.

  这项发明提供了以下式(I)的化合物，可用于治疗或预防丙型肝炎病毒感染，以及相关方面。
• HCV Polymerase Inhibitors
  申请人：Medivir AB

  公开号：US20130143835A1

  公开（公告）日：2013-06-06

  The invention provides compounds of the formula: which are of use in the treatment or prophylaxis of hepatitis C virus infection, and related aspects.

  本发明提供了如下通式的化合物： 它们可用于治疗或预防丙型肝炎病毒感染及相关方面。
• Spirophosphoranes derived from 3H-2,1-benzoxaphospholes
  作者：Britta M. Dahl、Otto Dahl、Stuart Trippett

  DOI：10.1039/p19810002239

  日期：——

  been prepared and converted into five-co-ordinate phosphoranes by addition of 4,5-dimethyl-o-benzoquinone or 4,4′-dimethylbenzil, or condensation with 4,5-dimethylpyrocatechol or pinacol. The variable-temperature n.m.r. spectra of these phosphoranes are discussed. In these systems phenylamino- and dimethylamino-groups have similar apicophilicities and are less apicophilic than hydrogen by some 4–5 kcal

  从锂开始ö -lithiobenzyl醇盐和二氯膦，一系列P取代的3 ħ -2-1苯并oxaphospholes已经制备并通过加入转化成五坐标膦-4,5-二甲基- ö苯醌或4,4'-二甲基苯甲醚，或与4,5-二甲基邻苯二酚或频哪醇缩合。讨论了这些磷烷的可变温度NMR光谱。在这些系统中，苯基氨基和二甲基氨基具有类似的亲嗜性，并且比氢的亲嗜性差约4–5 kcal mol –1。
• The apicophilicity of thio-substituents in trigonal bipyramidal phosphoranes
  作者：Stephen Bone、Stuart Trippett、Peter J. Whittle

  DOI：10.1039/p19740002125

  日期：——

  data on the energetics of the pseudorotation processes available to these systems. It is concluded that the apicophilicities of phenoxy- and phenylthio-groups are similar, with the balance varying according to the nature of the other ligands. Further evidence is given for the high apicophilicity of the hydrogen atom. The concept of multiple turnstile rotation processes is discussed with particular reference

  许多具有P-苯氧基-和P-苯硫基的五坐标螺磷杂环戊烷的可变温度nmr光谱已经给出了可用于这些系统的假旋转过程的能量学数据。结论是苯氧基和苯硫基的亲脂性相似，其平衡根据其他配体的性质而变化。进一步的证据表明氢原子具有很高的亲养性。讨论了多个旋转栅旋转过程的概念，并特别参考了螺磷杂环戊烷。

表征谱图