乙氧基羰酰异氰酸酯

乙氧基羰酰异氰酸酯 基本信息
CAS号 19617-43-7 分子式 C4H5NO3
分子量 115.08700 精确质量  115.02700
PSA  55.73000 LogP  0.47870

基本信息 展开↓

CAS号:
19617-43-7
分子式:
C4H5NO3
分子量:
115.08700
中文名称:
乙氧基羰酰异氰酸酯
英文名称:
ethyl N-(oxomethylidene)carbamate
中文别名:
乙氧基羰酰异氰酸酯;
异氰酸基甲酸乙酯
英文别名:
ethyl N-(oxomethylidene)carbamate;
acetyl thioisocynate;
carboisocyanatidic acid ethyl ester;
Ethoxycarbonyl isocyanate;
N-ethoxycarbonyl isocyanate;
N-(oxo-methylene)-carbamic acid ethyl ester;
ethoxycarbonylisocyanate;
ethyl isocyanatooate;
ethyl carbonisocyanatidate;
Ethyl isocyanatoformate
精确分子量/精确质量:
115.02700
极性分子表面积/PSA:
55.73000
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:
MFCD00011719
PubChem:
24858658
InChI:
InChI=1/C4H5NO3/c1-2-8-4(7)5-3-6/h2H2,1H3

物化性质展开↓

密度:
1.115 g/mL at 25ºC(lit.)
沸点:
25ºC10 mm Hg(lit.)
闪点:
96
折射率:
n20/D 1.408(lit.)
蒸汽压:
10.2mmHg at 25°C
其它信息:

1.       性状:无可用

2.       密度(g/mL,25/4):1.115 

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):无可用

5.       沸点(ºC,常压):25/10 mmHg

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:1.408

8.       闪点(ºC):无可用

9.       比旋光度(º):无可用

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V):无可用

19.    溶解性:无可用

安全信息展开↓

包装等级:
II
风险类别:
6.1(a)
海关代码:
2929109000
危险类别码:
R10
安全说明:
S7
安全标志:
S7:保持容器紧密封闭。
S16:远离火源。
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
:
危险标志:
Xn

合成路线查看所有的合成路线

  • 590-28-3

    氰酸钾

  • +

  • 541-41-3

    氯甲酸乙酯

  • 19617-43-7

    乙氧基羰酰异氰酸酯

  • 3206-31-3

    草酰琥珀酸三乙酯

  • 19617-43-7

    乙氧基羰酰异氰酸酯

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    ethene

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    15719-64-9

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    氰酸银

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    氯甲酸乙酯

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    乙氧基羰酰异氰酸酯

毒理性展开↓

生态数据:

 

该物质对环境可能有危害,对水体应给予特别注意。

MSDS 展开↓

Name: Ethoxycarbonyl Isocyanate Tech. 90% Material Safety Data Sheet
Synonym: None
CAS: 19617-43-7
Section 1 - Chemical Product   MSDS Name:Ethoxycarbonyl Isocyanate Tech. 90% Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
19617-43-7 Ethoxycarbonyl Isocyanate 90% unlisted
Hazard Symbols: None Listed.
Risk Phrases: 10

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Flammable.Moisture sensitive.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Contains cyanide. May cause dizziness, tremors, restlessness, rapid heart beat, increased blood pressure, hallucinations, kidney failure, and pulmonary edema.
Inhalation:
May cause respiratory tract irritation. Vapors may cause dizziness or suffocation. Inhalation of high concentrations may cause pulmonary edema. May cause cardiac abnormalities. Contains cyanide.
Chronic:
Chronic inhalation and ingestion may cause effects similar to those of acute inhalation and ingestion.

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 immediately.
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 immediately. 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:
Exposure should be treated as a cyanide poisoning.
Antidote: Always have a cyanide antidote kit on hand when working with cyanide compounds. Get medical advice to use.

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. Vapors may form an explosive mixture with air.
During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Will burn if involved in a fire.
Use water spray to keep fire-exposed containers cool. Containers may explode in the heat of a fire. Flammable liquid and vapor.
Extinguishing Media:
For small fires, use dry chemical, carbon dioxide, water spray or alcohol-resistant foam. For large fires, use water spray, fog, or alcohol-resistant foam. Use water spray to cool fire-exposed containers. Water may be ineffective. Do NOT use straight streams of water.

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. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation. A vapor suppressing foam may be used to reduce vapors.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Ground and bond containers when transferring material. Use spark-proof tools and explosion proof equipment. Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Storage:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Keep under a nitrogen blanket. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 19617-43-7: 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:
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: clear, colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 25 deg C @ 10.00mm
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 35 deg C ( 95.00 deg F)
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.1150g/cm3
Molecular Formula: C2H5O2NCO
Molecular Weight: 115.09

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, ignition sources, excess heat, exposure to moist air or water.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 19617-43-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethoxycarbonyl Isocyanate - 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
Shipping Name: ISOCYANATES, TOXIC, FLAMMABLE, N.O.S.*
Hazard Class: 6.1 (3)
UN Number: 3080
Packing Group: II
IMO
Shipping Name: ISOCYANATES, TOXIC, FLAMMABLE, N.O.S.
Hazard Class: 6.1 (3)
UN Number: 3080
Packing Group: II
RID/ADR
Shipping Name: ISOCYANATES, TOXIC, FLAMMABLE, N.O.S.
Hazard Class: 6.1 (3)
UN Number: 3080
Packing group: II

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
R 10 Flammable.
Safety Phrases:
S 9 Keep container in a well-ventilated place.
S 16 Keep away from sources of ignition - No
smoking.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 28A After contact with skin, wash immediately with
plenty of water.
S 33 Take precautionary measures against static
discharges.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
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# 19617-43-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 19617-43-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 19617-43-7 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:2929109000

概述:
2929109000. 其他异氰酸酯. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . 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:26.93

2   摩尔体积m3/mol101.4

3   等张比容(90.2K):251.5

4   表面张力dyne/cm37.7

5   极化率10-24cm310.67

计算化学数据


1.疏水参数计算参考值(XlogP):1.7

2.氢键供体数量:0

3.氢键受体数量:3

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积55.7

7.重原子数量:8

8.表面电荷:0

9.复杂度:125

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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