4-氯苄基三苯基氯化磷蓊盐

4-氯苄基三苯基氯化磷蓊盐 基本信息
CAS号 1530-39-8 分子式 C25H21Cl2P
分子量 423.31400 精确质量  422.07600
PSA  13.59000 LogP  2.83810

基本信息 展开↓

CAS号:
1530-39-8
3D弹球模型:
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分子式:
C25H21Cl2P
分子量:
423.31400
中文名称:
4-氯苄基三苯基氯化磷蓊盐
英文名称:
(4-CHLOROBENZYL)TRIPHENYLPHOSPHONIUM CHLORIDE
中文别名:
4-氯苄基三苯基氯化磷蓊盐;
(4-氯苄基)三苯基氯化磷;
4-氯苄基三苯基氯化磷鎓盐;
4-(氯苄基)三苯基氯化磷鎓盐
英文别名:
(4-CHLOROBENZYL)TRIPHENYLPHOSPHONIUM CHLORIDE;
(4-Chlorobenzyl)triphenylphosphonium Chloride;
(4-chlorophenyl)methyl-triphenylphosphanium,chloride;
[(4-Chlorophenyl)methyl]triphenylphosphonium chloride
精确分子量/精确质量:
422.07600
极性分子表面积/PSA:
13.59000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00041533
EINECS:
216-228-0
PubChem:
24866578
BRN:
4173400
InChI:
InChI=1/C25H21ClP.ClH/c26-22-18-16-21(17-19-22)20-27(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-19H,20H2;1H/q+1;/p-1

物化性质展开↓

熔点:
>300 °C(lit.)
存储条件/存储方法:

保持贮藏器密封、储存在阴凉、干燥的地方,确保工作间有良好的通风或排气装置

 

稳定性相关:

如果遵照规格使用和储存则不会分解,未有已知危险反应,避免氧化物

其它信息:

1.       性状:粉末。

2.       密度(g/mL,25/4): 未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):>300

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,5.2kPa): 未确定

7.       折射率: 未确定

8.       闪点(ºC): 未确定

9.       比旋光度(º): 未确定

10.    自燃点或引燃温度(ºC): 未确定

11.    蒸气压(kPa,25ºC): 未确定

12.    饱和蒸气压(kPa,60ºC): 未确定

13.    燃烧热(KJ/mol):未确定

14.    临界温度(ºC): 未确定

15.    临界压力(KPa): 未确定

16.    油水(辛醇/水)分配系数的对数值: 未确定

17.    爆炸上限(%,V/V):未确定

18.    爆炸下限(%,V/V): 未确定

19.    溶解性:未确定

安全信息展开↓

海关代码:
2931900090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
36/37/38
安全说明:
S26-S36
危险标志:
Xi: Irritant;

合成路线查看所有的合成路线

  • 104-83-6

    4-氯氯苄

  • +

  • 603-35-0

    三苯基膦

  • ~86%

  • 1530-39-8

    4-氯苄基三苯基氯化磷蓊盐

  • 603-35-0

    三苯基膦

  • +

  • 873-76-7

    4-氯苯甲醇

  • 1530-39-8

    4-氯苄基三苯基氯化磷蓊盐

  • 74-11-3

    香橙素

  • 1530-39-8

    4-氯苄基三苯基氯化磷蓊盐

化学图谱

  1. 4-氯苄基三苯基氯化磷核磁图(1HNMR)

  2. 4-氯苄基三苯基氯化磷核磁图(13CNMR)

  3. 4-氯苄基三苯基氯化磷质谱(MS)

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毒理性展开↓

生态数据:

对是水稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统,若无政府许可,勿将材料排入周围环境。

MSDS 展开↓

Name: (4-Chlorobenzyl)triphenylphosphonium chloride 98% Material Safety Data Sheet
Synonym:
CAS: 1530-39-8
Section 1 - Chemical Product   MSDS Name:(4-Chlorobenzyl)triphenylphosphonium chloride 98% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
1530-39-8 (4-Chlorobenzyl)triphenylphosphonium c 98 216-228-0
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation.
Chronic:
Not available.

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.
Ingestion:
Get medical aid. Wash mouth out with 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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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.

Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 1530-39-8: Personal Protective Equipment Eyes: Not available.
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.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Crystalline powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 280 - 283 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: soluble in water
Specific Gravity/Density:
Molecular Formula:
Molecular Weight: 423.32

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, oxides of phosphorus, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 1530-39-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(4-Chlorobenzyl)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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
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# 1530-39-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1530-39-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1530-39-8 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

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%
摘要/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%

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:0

3.氢键受体数量:1

4.可旋转化学键数量:5

5.互变异构体数量:无

6.拓扑分子极性表面积0

7.重原子数量:28

8.表面电荷:0

9.复杂度:378

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:2

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