896-33-3 (乙基三苯基氯化膦,Ethyltriphenylphosphonium Chloride)

CAS号:
896-33-3
中文名称:
乙基三苯基氯化膦
英文名称:
Ethyltriphenylphosphonium Chloride
安全信息:
分子式:
C20H20ClP
分子量:
326.799565315247
相关分类:

乙基三苯基氯化膦(896-33-3)名称与标识符

名称

中文别名:
乙基三苯基氯化膦;三苯基乙基氯化鏻;乙基三苯基氯化磷,ETPPCI;乙基三苯基氯化鏻;三苯基乙基氯化膦;乙基三苯基氯化粼;氯化化乙基三苯基瞵;乙基三苯基氯化磷;三苯基乙基氯化;乙基三苯基氯化;
英文别名:
Ethyl-triphenylphosphonium chloride;Ethyl triphenylphosphonium chloride;ETPPCL;ETC;TRIPHENYL ETHYL PHOSPHORUS CHLORIDE;ethyltriphenyl-phosphoniuchloride;Phosphonium,ethyltriphenyl-,chloride;TriphenylEthylphosphoniumchloride;Triphenylethyl chlorophosphine;(Ethyl)triphenylphosphonium chloride;ethyl(triphenyl)phosphanium,chloride;Methyl(triphenyl)phosphonium chloride;Ethyltriphenylphosphoniumchloride (7CI);Phosphonium, ethyltriphenyl-, chloride (8CI,9CI);Triphenylethylphosphonium chloride;Ethyltriphenylphosphonium chloride (7CI);Phosphonium, ethyltriphenyl-, chloride (8CI, 9CI);SCHEMBL165408;Phosphonium, ethyltriphenyl-, chloride;DB-050398;Q27272889;ETHYLTRIPHENYLPHOSPHONIUMCHLORIDE;ethyl(triphenyl)phosphanium;chloride;MFCD00044699;Phosphonium, ethyltriphenyl-, chloride (1:1);ethyl(triphenyl)phosphonium chloride;Ethyl Triphenyl Phosphonium Chloride;NJXBVBPTDHBAID-UHFFFAOYSA-M;E1336;D90618;AC-19759;9Q6R98590R;ETHYLTRIPHENYLPHOSPHONIUM CHLORIDE;AKOS015833140;896-33-3;DTXSID3044467;UNII-9Q6R98590R;J2.856.649B;

标识符

MDL:
MFCD00044699
InChIKey:
NJXBVBPTDHBAID-UHFFFAOYSA-M
Inchi:
1S/C20H20P.ClH/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h3-17H,2H2,1H3;1H/q+1;/p-1
SMILES:
[Cl-].C1C=CC([P+](CC)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1
BRN:
4170030

乙基三苯基氯化膦(896-33-3)物化性质

实验特性

  • LogP : 1.00440
  • PSA : 13.59000
  • 沸点 : 279-287°C
  • 熔点 : 241.0 to 245.0 deg-C
  • 蒸气压 : No data available
  • 闪点 : 240 ºC
  • 颜色与性状 : 白色或微黄色结晶。
  • 溶解性 : 未确定
  • 敏感性 : Hygroscopic
  • 密度 : 0.9700

计算特性

  • 精确分子量 : 326.09900
  • 氢键供体数量 : 0
  • 氢键受体数量 : 0
  • 可旋转化学键数量 : 4
  • 同位素质量 : 326.099
  • 重原子数量 : 22
  • 复杂度 : 247
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 2
  • 疏水参数计算参考值(XlogP) : 无
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 0A^2

乙基三苯基氯化膦(896-33-3)国际标准相关数据

EINECS:
000-000-0

乙基三苯基氯化膦(896-33-3)海关数据

海关编码:
2931900090
海关数据:

中国海关编码:

2931900090

概述:

2931900090. 其他有机-无机化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:6.5%. 普通关税:30.0%

Summary:

2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

乙基三苯基氯化膦(896-33-3)推荐厂家 更多厂家(90)

乙基三苯基氯化膦(896-33-3)合成路线

合成路线:1 步
反应条件:
参考文献:
Long sought synthesis of quaternary phosphonium salts from phosphine oxides: inverse reactivity approach
Vetter, Anna C.; Nikitin, Kirill; Gilheany, Declan G., Chemical Communications (Cambridge, 2018, 54(46), 5843-5846
合成路线:1 步
反应条件:
参考文献:
Synthetic and mechanistic aspects of halo-F-methylphosphonates
Flynn, Richard M.; Burton, Donald J., Journal of Fluorine Chemistry, 2011, 132(10), 815-828
合成路线:1 步
参考文献:
Ethyltriphenylphosphonium bromide
McComsey, David F.; Maryanoff, Bruce E., e-EROS Encyclopedia of Reagents for Organic Synthesis, 2001, 1, 1-2
合成路线:1 步
反应条件:
参考文献:
New synthesis for acetylenes
Bestmann, Hans Juergen; Kumar, Kamlesh; Schaper, Wolfgang, Angewandte Chemie, 1983, 95(2),
合成路线:1 步
反应条件:
参考文献:
Observation and Stereochemistry of Betaine Intermediates in the Reaction of Phosphonium Ylide Containing a Phosphaboratatriptycene Skeleton with Benzaldehyde
Uchiyama, Yosuke ; Yamagishi, Shotaro; Yasukawa, Takuya, Journal of Organic Chemistry, 2022, 87(23), 15899-15913
合成路线:1 步
参考文献:
Reaction of phosphonium ylides with alkyldichloroboranes
Bestmann, Hans Juergen; Arenz, Thomas, Angewandte Chemie, 1986, 98(6), 571-2

乙基三苯基氯化膦(896-33-3)相关文献

乙基三苯基氯化膦(896-33-3)参考资料

Reaxys RN:
4170030
Beilstein:
MFCD00044699
PubChem CID:

乙基三苯基氯化膦(896-33-3) MSDS

基础信息

Name:Ethyl-Triphenylphosphoniumchloride 98% Material Safety Data Sheet
Synonym:None known
CAS:896-33-3
Section 1 - Chemical Product ? MSDS Name:Ethyl-Triphenylphosphoniumchloride 98% Material Safety Data Sheet
Synonym:None known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
896-33-3Ethyl-Triphenylphosphonium Chloride98unlisted
Hazard Symbols: XN
Risk Phrases: 21/22

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful in contact with skin and if swallowed.Light sensitive.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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:

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. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Store protected from light.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from light.

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# 896-33-3: 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:
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.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Solid
Color: white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 242 deg C
Autoignition Temperature: Not applicable.
Flash Point: 240 deg C ( 464.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: 240 deg C
Solubility in water: soluble
Specific Gravity/Density:
Molecular Formula: C20H20ClP
Molecular Weight: 326.79

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 896-33-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl-Triphenylphosphonium Chloride - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
?

Section 13 - DISPOSAL CONSIDERATIONS
? Dispose of in a manner consistent with federal, state, and local regulations.

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.

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 21/22 Harmful in contact with skin and if
swallowed.
Safety Phrases:
S 24 Avoid contact with skin.
S 28A After contact with skin, wash immediately with
plenty of water.
S 36/37 Wear suitable protective clothing and
gloves.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 896-33-3: No information available.
Canada
CAS# 896-33-3 is listed on Canada's NDSL List.
CAS# 896-33-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 896-33-3 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A