亚乙基二磷酸四乙酯

亚乙基二磷酸四乙酯 基本信息
CAS号 995-32-4 分子式 C10H24O6P2
分子量 302.24100 精确质量  302.10500
PSA  90.68000 LogP  3.51860

基本信息 展开↓

CAS号:
995-32-4
分子式:
C10H24O6P2
分子量:
302.24100
中文名称:
亚乙基二磷酸四乙酯
英文名称:
TETRAETHYL ETHYLENEDIPHOSPHONATE
中文别名:
亚乙基二磷酸四乙酯;
chloro(tripropyl)silane;
Tri-n-propylchlorosilane;
Disiloxane, hexaethyl-;
Hexaethyldisiloxane;
chloro-methyl-silicon;
2,6-di-tert-butyl-4-(4,6-bis(octylthio)-1,3,5-triazin-2-ylamino)phenol;
Phenol, 4-((4,6-bis(octylthio)-s-triazin-2-yl)amino)-2,6-di-tert-butyl-(8CI);
4-{[4,6-bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino}-2,6-di-tert-butylphenol;
Antioxidant 565;
2,4-Bis-(octylthio)-6-(3,5-di-tert-butyl-4-hydroxyanilino)-1,3,5-triazine;
Rhodamine 6G;
Sodium (2S-(2alpha,5alpha,6beta))-6-(((2-ethoxy-1-naphthyl)carbonyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate;
sodium 6-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;
sodium (2S,5R,6R)-6-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;
4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2-ethoxy-1-naphthalenyl)carbonyl]amino]-3,3-d;
Nafcillin sodium;
SC 9376;
Spirolactone SC 14266;
UNII-78O20X9J0U;
17alpha-Pregna
英文别名:
TETRAETHYL ETHYLENEDIPHOSPHONATE;
1,2-bis(diethoxyphosphoryl)ethane
精确分子量/精确质量:
302.10500
极性分子表面积/PSA:
90.68000
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:
MFCD00015133
EINECS:
213-625-0
PubChem:
24865737
BRN:
1800096
InChI:
InChI=1/C10H24O6P2/c1-5-13-17(11,14-6-2)9-10-18(12,15-7-3)16-8-4/h5-10H2,1-4H3

物化性质展开↓

外观与性状:
透明无色液体
密度:
1.146 g/mL at 25 °C(lit.)
沸点:
200-202 °C14 mm Hg(lit.)
闪点:
>110°C
折射率:
n20/D 1.444(lit.)
存储条件/存储方法:

保持容器密封,储存在阴凉,干燥的地方 

稳定性相关:

常温常压下稳定,避免强氧化剂接触

其它信息:

1.       性状:未确定

2.       密度(g/ mL,25):1.146

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):未确定

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,14mmHg):200-202

7.       折射率(n20/D)1.444

8.       闪点(ºC):>110

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:
2915900090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R36/37/38
安全说明:
S26-S36
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。
危险标志:
Xi: Irritant;

合成路线查看所有的合成路线

  • 106-93-4

    二溴乙烷

  • +

  • 122-52-1

    亚磷酸三乙酯

  • ~88%

  • 995-32-4

    亚乙基二磷酸四乙酯

  • 4851-53-0

    双(二乙氧基磷酰基)乙炔,99%

  • ~17%

  • 995-32-4

    亚乙基二磷酸四乙酯

  • +

  • 54078-45-4

    54078-45-4

  • 6323-99-5

    2-amino-4-phosphonobutyric acid

  • +

  • 122-51-0

    原甲酸三乙酯

  • ~3%

  • 995-32-4

    亚乙基二磷酸四乙酯

  • +

  • 93960-22-6

    (D,L)-(+,-)-2-Amino-4-(diethylphosphono)butanoic acid, ethyl ester, 98 %

毒理性展开↓

生态数据:

通常对水是不危害的,若无政府许可,勿将材料排入周围环境。

MSDS 展开↓

Name: Tetraethyl ethylenediphosphonate 95% Material Safety Data Sheet
Synonym:
CAS: 995-32-4
Section 1 - Chemical Product   MSDS Name:Tetraethyl ethylenediphosphonate 95% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
995-32-4 Tetraethyl ethylenediphosphonate 95% 213-625-0
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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable 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# 995-32-4: 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: Granules
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 200 - 202 deg C @ 1
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: > 110 deg C (> 230.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.1460g/cm3
Molecular Formula: [-CH2P(O)(OC2H5)2]2
Molecular Weight: 302.25

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of phosphorus, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 995-32-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Tetraethyl ethylenediphosphonate - 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# 995-32-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 995-32-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 995-32-4 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:2915900090

概述:
2915900090. 其他饱和无环一元羧酸及其酸酐(酰卤、过氧)化物、过氧酸及其卤化、硝化、磺化、亚硝化衍生物. 增值税率:17.0%. 退税率:9.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:5.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
监管条件:
A.入境货物通关单B.出境货物通关单
检验检疫:
R.进口食品卫生监督检验S.出口食品卫生监督检验M.进口商品检验N.出口商品检验
摘要/Summary:
2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% 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):0.2

2.氢键供体数量:0

3.氢键受体数量:6

4.可旋转化学键数量:11

5.互变异构体数量:无

6.拓扑分子极性表面积71.1

7.重原子数量:18

8.表面电荷:0

9.复杂度:257

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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