肼二羧酸二乙酯

肼二羧酸二乙酯 基本信息
CAS号 4114-28-7 分子式 C6H12N2O4
分子量 176.17000 精确质量  176.08000
PSA  76.66000 LogP  1.17540

基本信息 展开↓

CAS号:
4114-28-7
3D弹球模型:
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分子式:
C6H12N2O4
分子量:
176.17000
中文名称:
肼二羧酸二乙酯
英文名称:
ethyl N-(ethoxycarbonylamino)carbamate
中文别名:
肼二羧酸二乙酯;
1,2-肼二羧酸二乙酯;
叠氮二羧酸二乙酯
英文别名:
ethyl N-(ethoxycarbonylamino)carbamate;
bis-N-ethoxycarbonyl hydrazine;
sym-Dicarbethoxyhydrazine;
Diethyl 1,2-hydrazinedicarboxylate;
1,2-Hydrazinedicarboxylic acid,diethyl ester;
Ethyl hydrazoformate;
Diethyl hydrazodicarboxylate;
Bicarbamic acid,diethyl ester;
s-Dicarbethoxyhydrazine;
1,2-dicarbethoxyhydrazine;
Diethyl bicarbamate;
1,2-Hydrazindicarbonsaeure-diethylester
精确分子量/精确质量:
176.08000
极性分子表面积/PSA:
76.66000
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:
MFCD00009101
EINECS:
223-902-8
PubChem:
24893924
BRN:
1781585
InChI:
The Key: JXMLAPZRDDWRRV-UHFFFAOYSA-N

生产制备方法及用途展开↓

制备方法


将85%水合肼和95%乙醇的混合物冷却到10℃,搅拌下滴加氯甲酸乙酯和碳酸钠溶液,控制加料速度,使氯甲酸乙酯保持过量,并先于碳酸钠溶液滴加完,加料温度保持在20℃以上。加料后继续搅拌反应0.5h,滤出沉淀,用水充分洗涤后在80℃真空干燥,得成品,产率81-85%。

合成制备方法


85%水合肼和95%乙醇的混合物冷却到10℃,搅拌下滴加氯甲酸乙酯和碳酸钠溶液,控制加料速度,使氯甲酸乙酯保持过量,并先于碳酸钠溶液滴加完,加料温度保持在20℃以上。加料后继续搅拌反应0.5h,滤出沉淀,用水充分洗涤后在80℃真空干燥,得成品,产率81-85%

用途简介


有机合成中间体。

用途


有机合成中间体。

物化性质展开↓

密度:
1.157g/cm3
熔点:
131-133 °C(lit.)
沸点:
250 °C(lit.)
闪点:
105ºC
折射率:
1.446
存储条件/存储方法:

避光,通风干燥处,密封保存

稳定性相关:

常温常压下稳定

安全信息展开↓

海关代码:
2928000090
WGK_Germany:
3
德国有关水污染物质的分类清单
安全说明:
S22-S24/25
安全标志:
S22:不要吸入粉尘。
S24/25:防止皮肤和眼睛接触。

合成路线查看所有的合成路线

  • 1972-28-7

    偶氮二甲酸二乙酯

  • ~99%

  • 4114-28-7

    肼二羧酸二乙酯

  • 4143-61-7

    diethyl azodicarboxylic acid ester

  • ~99%

  • 4114-28-7

    肼二羧酸二乙酯

  • 93-54-9

    1-苯丙醇

  • +

  • 1972-28-7

    偶氮二甲酸二乙酯

  • ~97%

  • 4114-28-7

    肼二羧酸二乙酯

  • +

  • 93-55-0

    苯丙酮

化学图谱

  1. 1,2-肼二羧酸二乙酯红外图谱(IR1)

  2. 1,2-肼二羧酸二乙酯红外图谱(IR2)

  3. 1,2-肼二羧酸二乙酯质谱(MS)

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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: Sym.-Dicarbethoxyhydrazine 97% Material Safety Data Sheet
Synonym: None Known
CAS: 4114-28-7
Section 1 - Chemical Product   MSDS Name:Sym.-Dicarbethoxyhydrazine 97% Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
4114-28-7 Sym.-Dicarbethoxyhydrazine 97% 223-902-8
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. 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:

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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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# 4114-28-7: 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: Crystalline powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 250 deg C @ 760.00mmHg
Freezing/Melting Point: 132 - 134 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C6H12N2O4
Molecular Weight: 176.17

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, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 4114-28-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Sym.-Dicarbethoxyhydrazine - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 4114-28-7: No information available.
Canada
CAS# 4114-28-7 is listed on Canada's NDSL List.
CAS# 4114-28-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 4114-28-7 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2928000090

概述:
2928000090 其他肼(联氨)及胲(羟胺)的有机衍生物。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:20.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2928000090 other organic derivatives of hydrazine or of hydroxylamine VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

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):0.6

2.氢键供体数量:2

3.氢键受体数量:4

4.可旋转化学键数量:4

5.互变异构体数量:3

6.拓扑分子极性表面积76.7

7.重原子数量:12

8.表面电荷:0

9.复杂度:142

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

上下游相关产品

上游产品

更多
  • 4143-61-7

    diethyl azodicarboxylic acid ester

  • 1972-28-7

    偶氮二甲酸二乙酯

  • 541-41-3

    氯甲酸乙酯

  • 622-40-2

    2-吗啉乙醇

  • 6702-50-7

    3-羟基-4-甲氧基苯甲酸甲酯

下游产品

更多
  • 1121-60-4

    吡啶-2-甲醛

  • 17356-77-3

    6,7-dimethoxycinnoline

  • 1972-28-7

    偶氮二甲酸二乙酯

  • 104-88-1

    4-氯苯甲醛

  • 16396-49-9

    ethyl N-benzyl-N-(ethoxycarbonylamino)carbamate

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