二氯化乙基磷酸

二氯化乙基磷酸 基本信息
CAS号 1066-50-8 分子式 C2H5Cl2OP
分子量 146.94000 精确质量  145.94600
PSA  26.88000 LogP  2.67700

基本信息 展开↓

CAS号:
1066-50-8
3D弹球模型:
立即前往扯扯看
分子式:
C2H5Cl2OP
分子量:
146.94000
中文名称:
二氯化乙基磷酸
英文名称:
ETHYLPHOSPHONIC DICHLORIDE
中文别名:
二氯化乙基磷酸;
二氯化乙基磷酸,98%
英文别名:
ETHYLPHOSPHONIC DICHLORIDE;
1-dichlorophosphorylethane
精确分子量/精确质量:
145.94600
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。
贝尔斯坦号/MDL:
MFCD00002073
EINECS:
213-918-3
InChI:
The Key: OWGJXSYVHQEVHS-UHFFFAOYSA-N

物化性质展开↓

密度:
1.376 g/mL at 25 °C(lit.)
沸点:
71-72 °C12 mm Hg(lit.)
闪点:
>230 °F
折射率:
n20/D 1.465(lit.)
蒸汽压:
0.787mmHg at 25°C
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,避免氧化物接触

其它信息:

1.      性状:未确定。

2.      密度(g/mL,25°C):1.376

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,12mmHg):71-72

7.      折射率(n20/D1.465

8.      闪点(ºF):>230

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(psi,20ºC):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↓

包装等级:
II
风险类别:
8
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:
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed . R34:Causes burns.
安全说明:
S23-S26-S36/37/39-S45
RTECS号:
TA1780000
危险标志:
T

合成路线查看所有的合成路线

  • 78-38-6

    二乙基丙酸醛

  • ~95%

  • 75-00-3

    乙基氯

  • +

  • 1066-50-8

    二氯化乙基磷酸

  • 1641-57-2

    [ethyl(trimethylsilyloxy)phosphoryl]oxy-trimethylsilane

  • ~95%

  • 75-77-4

    三甲基氯硅烷

  • +

  • 1066-50-8

    二氯化乙基磷酸

  • 78-38-6

    二乙基丙酸醛

  • ~91%

  • 1066-50-8

    二氯化乙基磷酸

化学图谱

  1. 二氯化乙基磷酸红外图谱(IR1)

  2. 二氯化乙基磷酸质谱(MS)

  3. 二氯化乙基磷酸核磁图(13CNMR)

  4. 二氯化乙基磷酸核磁图(1HNMR)

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TA1780000
CHEMICAL NAME :
Phosphonic dichloride, ethyl-
CAS REGISTRY NUMBER :
1066-50-8
BEILSTEIN REFERENCE NO. :
1743286
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C2-H5-Cl2-O-P
MOLECULAR WEIGHT :
146.94
WISWESSER LINE NOTATION :
OPGG2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#05945
毒理学数据:

1、急性毒性:小鼠静脉注射LD5056mg/kg

生态数据:

对水是稍微有害的,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储存

MSDS 展开↓

Name: Ethylphosphonic dichloride 98% Material Safety Data Sheet
Synonym:
CAS: 1066-50-8
Section 1 - Chemical Product   MSDS Name:Ethylphosphonic dichloride 98% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
1066-50-8 Ethylphosphonic dichloride 98% 213-918-3
Hazard Symbols: C
Risk Phrases: 20/21/22 34

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed. Causes burns.Moisture sensitive.Corrosive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Harmful if absorbed through the skin. Causes skin burns.
Ingestion:
Harmful if swallowed. May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Harmful if inhaled. May cause irritation of the respiratory tract with burning pain in the nose and throat, coughing, wheezing, shortness of breath and pulmonary edema. Causes chemical burns to the respiratory tract. Inhalation may be fatal as a result of spasm, inflammation, edema of the larynx and bronchi, chemical pneumonitis and pulmonary edema.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
  Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. 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. Never give anything by mouth to an unconscious person. Get medical aid immediately. Wash mouth out with water.
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. Get medical aid. 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:

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. Reacts violently with water giving off flammable gas which may explode. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide. DO NOT USE WATER! Do NOT get water inside containers.

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. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation. Do not get water inside containers.

Section 7 - HANDLING and STORAGE
  Handling:
Do not breathe dust, vapor, mist, or gas. Keep container tightly closed. Do not get on skin or in eyes. Do not ingest or inhale. Use with adequate ventilation. Do not allow contact with water. Use only in a chemical fume hood. Discard contaminated shoes. Keep from contact with moist air and steam.
Storage:
Store in a cool, dry place. Keep container closed when not in use.
Store in a tightly closed container. Keep under a nitrogen blanket.
Corrosives area. Store protected from moisture.

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# 1066-50-8: 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 minimize contact with skin. 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. 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: Liquid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 71 - 72 deg C @ 12.
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: 1.3760g/cm3
Molecular Formula: C2H5P(O)Cl2
Molecular Weight: 146.94

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

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 1066-50-8: TA1780000 LD50/LC50:
Not available.
Carcinogenicity:
Ethylphosphonic dichloride - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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
Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3265
Packing Group: II
IMO
Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3265
Packing Group: II
RID/ADR
Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3265
Packing group: II

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 34 Causes burns.
Safety Phrases:
S 25 Avoid contact with eyes.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
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# 1066-50-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1066-50-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1066-50-8 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↓

分子结构数据


1、   摩尔折射率:27.88

2、   摩尔体积m3/mol108.4                

3、   等张比容90.2K260.7

4、   表面张力dyne/cm33.3

5、   介电常数:无可用

6、   偶极距10-24cm3:无可用

7、   极化率:11.05

计算化学数据


1.疏水参数计算参考值(XlogP):1.3

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:1

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:6

8.表面电荷:0

9.复杂度:75.6

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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