三正丙基磷化氢氧化物

三正丙基磷化氢氧化物 基本信息
CAS号 1496-94-2 分子式 C9H21OP
分子量 176.23600 精确质量  176.13300
PSA  26.88000 LogP  3.57950

基本信息 展开↓

CAS号:
1496-94-2
3D弹球模型:
立即前往扯扯看
分子式:
C9H21OP
分子量:
176.23600
中文名称:
三正丙基磷化氢氧化物
英文名称:
1-dipropylphosphorylpropane
中文别名:
三正丙基磷化氢氧化物;
三-N-丙基磷化氢氧化物
英文别名:
1-dipropylphosphorylpropane;
Phosphine oxide,tripropyl;
tripropylphosphane oxide;
tripropyl-phosphine oxide;
tri-n-propyl phosphine oxide;
tripropylphosphinoxide
精确分子量/精确质量:
176.13300
极性分子表面积/PSA:
26.88000
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。
InChI:
The Key: SNZSAFILJOCMFM-UHFFFAOYSA-N

物化性质展开↓

外观与性状:
白色晶体
密度:
0.875 g/cm3
熔点:
39ºC
沸点:
293.6ºC at 760 mmHg
闪点:
131.3ºC
折射率:
1.417
蒸汽压:
0.003mmHg at 25°C
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:未确定。

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):39

5.       沸点(ºC,常压):280-282

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

合成路线查看所有的合成路线

  • 106-94-5

    溴代正丙烷

  • ~69%

  • 1496-94-2

    三正丙基磷化氢氧化物

  • 100-44-7

    苄基氯

  • +

  • 106-94-5

    溴代正丙烷

  • 1496-94-2

    三正丙基磷化氢氧化物

  • +

  • 91953-92-3

    91953-92-3

  • +

  • 4538-55-0

    dibenzylphosphorylmethylbenzene

  • +

  • 31675-58-8

    31675-58-8

  • 106-94-5

    溴代正丙烷

  • 1496-94-2

    三正丙基磷化氢氧化物

  • +

  • 27443-18-1

    DI-N-PROPYLPHOSPHINE OXIDE

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SZ1679000
CHEMICAL NAME :
Phosphine oxide, tripropyl-
CAS REGISTRY NUMBER :
1496-94-2
LAST UPDATED :
199712
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C9-H21-O-P

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1550 mg/kg
TOXIC EFFECTS :
Autonomic Nervous System - other (direct) parasympathomimetic Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 49(2),92,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1360 mg/kg
TOXIC EFFECTS :
Autonomic Nervous System - other (direct) parasympathomimetic Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 49(2),92,1984 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
9300 mg/kg/30D-I
TOXIC EFFECTS :
Liver - liver function tests impaired Kidney, Ureter, Bladder - other changes in urine composition Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 49(2),92,1984
毒理学数据:

急性毒性:大鼠口经LD501550mg/kg;小鼠口经LD501360mg/kg

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↓


Section 1: Product Identification
   Chemical Name:       Tri-n-propylphosphine oxide, min. 98%    
   CAS Registry Number:       1496-94-2    
   Formula:       (n-C3H7)3PO    
   EINECS Number:       none    
   Chemical Family:       organophosphorus compound    
   Synonym:       Tri-n-propylphosphine oxide    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       1496-94-2       100%       no data       no data    

Section 3: Hazards Identification
   Harmful in contact with skin and if swallowed. The material is irritating to skin, eyes, and mucous membranes.
   Emergency Overview:
   Primary Routes of Exposure:       Ingestion, eyes, inhalation    
   Eye Contact:       Causes moderate irritation of the eyes    
   Skin Contact:       Causes moderate irritation of the skin. Harmful in contact with skin.    
   Inhalation:       The dust is irritating to the nose, mucous membranes and respiratory tract.    
   Ingestion:       Harmful if swallowed. May cause vomiting and diarrhea.    
   Acute Health Affects:       Harmful in contact with skin and if swallowed. Irritating to skin, eyes and respiratory tract.    
   Chronic Health Affects:       No information available on long-term chronic effects.    
   NTP:       No    
   IARC:       No    
   OSHA:       No    

SECTION 4: First Aid Measures
   Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
   Eye Exposure:
   assistance in keeping their eye lids open. Get immediate medical attention.
   Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if
   Skin Exposure:
   irritation persists.
   Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
   Inhalation:
   in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
   Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
   Ingestion:
   vomiting only if directed by medical personnel.

SECTION 5: Fire Fighting Measures
   Flash Point:       not applicable    
   Autoignition Temperature:       no data    
   Explosion Limits:       no data    
   Extinguishing Medium:       carbon dioxide, dry powder or foam    
   If involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure self-contained
   Special Fire Fighting Procedures:
   breathing apparatus and full protective clothing.
   Hazardous Combustion and       In a fire may emit toxic organic fumes, carbon monoxide, carbon dioxide, and phosphorous pentoxide.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

SECTION 6: Accidental Release Measures
   Spill and Leak Procedures:       Small spills can be mixed with vermiculite or sodium carbonate and swept up.    

SECTION 7: Handling and Storage
   Handling and Storage:       Store in a tightly sealed container. Keep away from heat and direct sunlight.    

SECTION 8: Exposure Controls and Personal Protection
   Eye Protection:       Always wear approved safety glasses when handling a chemical substance in the laboratory.    
   Skin Protection:       Wear protective clothing and gloves. Consult with glove manufacturer to determine the proper type of glove.    
   Ventilation:       Material may form a fine dust. If possible, handle the material in an efficient fume hood.    
   If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator
   Respirator:
   Protection Program to be in compliance with 29 CFR 1910.134.
   Ventilation:       Material may form a fine dust. If possible, handle the material in an efficient fume hood.    
   Additional Protection:       No additional protection required.    

SECTION 9: Physical and Chemical Properties
   Color and Form:       white xtl.    
   Molecular Weight:       176.24    
   Melting Point:       39°    
   Boiling Point:       280-282°C    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       sweetish odor    
   Solubility in Water:       slightly soluble    

SECTION 10: Stability and Reactivity
   Stability:       moisture sensitive    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       contact with strong oxidizing agents    
   Incompatibility:       oxidizing agents and halogens    
   Decomposition Products:       carbon dioxide, carbon monoxide, organic fumes, and phosphorus oxides.    

SECTION 11: Toxicological Information
   Administration onto the skin (rabbit); Standard Draize test: 10 uL/24H. Adminstration into the eye (rabbit);
   RTECS Data:       Standard Draize test: 5 uL. Oral (rat); LD50: 1410 mg/kg. Oral (mouse) LD50: 1360 mg/kg. Administration onto    
   the skin (rabbit); LD50: 1130 mg/kg. Oral (rat); TDLo: 9300 mg/kg/30D-I.
   Carcinogenic Effects:       No data available    
   Mutagenic Effects:       No data available    
   Tetratogenic Effects:       No data available    

SECTION 12: Ecological Information
   Ecological Information:       No information available    

SECTION 13: Disposal Considerations
   Disposal:       Dispose of according to federal, state, and local regulations.    

SECTION 14: Transportation
   Shipping Name (CFR):       Non-hazardous    
   Hazard Class (CFR):       NA    
   Additional Hazard Class (CFR):       NA    
   Packaging Group (CFR):       NA    
   UN ID Number (CFR):       NA    
   Shipping Name (IATA):       Non-hazardous    
   Hazard Class (IATA):       NA    
   Additional Hazard Class (IATA):       NA    
   Packaging Group (IATA):       NA    
   UN ID Number (IATA):       NA    

SECTION 15: Regulatory Information
   TSCA:       Listed in the TSCA inventory.    
   SARA (Title 313):       Title compound not listed.    
   Second Ingredient:       none    


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↓

分子结构数据


1、   摩尔折射率:50.61

2、   摩尔体积m3/mol201.2

3、   等张比容90.2K462.3

4、   表面张力dyne/cm: 27.8

5、   介电常数:无可用

6、   偶极距10-24cm3:无可用

7、   极化率:20.06

计算化学数据


1.疏水参数计算参考值(XlogP):2.1

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:6

5.互变异构体数量:无

6.拓扑分子极性表面积17.1

7.重原子数量:11

8.表面电荷:0

9.复杂度:108

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:1

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