3-(5-硝基-2-呋喃基)丙烯醛

3-(5-硝基-2-呋喃基)丙烯醛 基本信息
CAS号 1874-22-2 分子式 C7H5NO4
分子量 167.11900 精确质量  167.02200
PSA  76.03000 LogP  1.92310

基本信息 展开↓

CAS号:
1874-22-2
3D弹球模型:
立即前往扯扯看
分子式:
C7H5NO4
分子量:
167.11900
中文名称:
3-(5-硝基-2-呋喃基)丙烯醛
英文名称:
5-Nitrofuran-2-acrylaldehyde
中文别名:
3-(5-硝基-2-呋喃基)丙烯醛;
5-硝基呋喃-2-丙烯醛
英文别名:
5-Nitrofuran-2-acrylaldehyde;
2-NITROFURYL ACROLEIN;
2-Furanacrolein,5-nitro;
5-nitro-2-furanacrolei;
5-Nitro-2-furylacrolein;
5-nitrofuryl-2-acrolein;
5-NITRO-2-FURANACROLEIN;
2-Nitrofuryl-acroleine
精确分子量/精确质量:
167.02200
极性分子表面积/PSA:
76.03000
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。
EINECS:
217-499-8
InChI:
InChI=1/C7H5NO4/c9-5-1-2-6-3-4-7(12-6)8(10)11/h1-5H/b2-1+

生产制备方法及用途展开↓

制备方法


β-(5-硝基-2-呋喃基)丙烯醛主要用于合成硝呋肼(Nifurzide)、Furaginum、硝呋马佐(Nifurmade)和硝呋立宗(Nifurizone)。

用途简介


用途


β-5-硝基-2-呋喃基)丙烯醛主要用于合成硝呋肼(Nifurzide)、Furaginum、硝呋马佐(Nifurmade)和硝呋立宗(Nifurizone)。

物化性质展开↓

外观与性状:
橙色-棕色粉末
密度:
1.365g/cm3
熔点:
117°C
沸点:
310.7ºC at 760 mmHg
闪点:
141.7ºC
折射率:
1.587
蒸汽压:
0.000591mmHg 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:粉末

2.       密度(g/mL,20ºC):未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):119

5.       沸点(ºC):未确定

6.       沸点(ºC10mmHg):未确定

7.       折射率:未确定

8.       闪点(°F):未确定

9.       比旋光度(ºC):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:
2932190090
危险类别码:
R20/21-22-36/37/38
安全说明:
S26-S36/37/39

合成路线查看所有的合成路线

  • 698-63-5

    5-硝基糠醛

  • +

  • 75-07-0

    乙醛

  • ~8%

  • 1874-22-2

    3-(5-硝基-2-呋喃基)丙烯醛

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
LT8530780
CHEMICAL NAME :
2-Furanacrolein, 5-nitro-
CAS REGISTRY NUMBER :
1874-22-2
BEILSTEIN REFERENCE NO. :
0005494
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H5-N-O4
MOLECULAR WEIGHT :
167.13

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
500 ng/plate
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 192,15,1987
毒理学数据:

1   致突变性

微生物鼠伤寒沙门氏菌突变测试系统:500μg/plate

生态数据:

对水是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↓

Name: 5-Nitro-2-furanacrolein tech 92% Material Safety Data Sheet
Synonym: 3-[(5-Nitro)-2-furanyl]-2-propenal; 5-Nitrofuran-2-acrylaldehyde; 2-Furanacrolein, 5-nitro-; 2-Propenal, 3-(5-nitro-2-furanyl)
CAS: 1874-22-2
Section 1 - Chemical Product   MSDS Name:5-Nitro-2-furanacrolein tech 92% Material Safety Data Sheet
Synonym:3-[(5-Nitro)-2-furanyl]-2-propenal; 5-Nitrofuran-2-acrylaldehyde; 2-Furanacrolein, 5-nitro-; 2-Propenal, 3-(5-nitro-2-furanyl)

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
1874-22-2 5-Nitro-2-furanacrolein, tech. 92 217-499-8
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. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

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.
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. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:
Treat symptomatically and supportively.

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.
Extinguishing Media:
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:
Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. Use with adequate ventilation.
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# 1874-22-2: 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:
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.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Powder
Color: orange-brown
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 109.00 - 114.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Not available.
Specific Gravity/Density: Not available.
Molecular Formula: C7H5NO4
Molecular Weight: 167.12

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:
Strong oxidizing agents, strong bases.
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# 1874-22-2: LT8530780 LD50/LC50:
Not available.
Carcinogenicity:
5-Nitro-2-furanacrolein, tech. - 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
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 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 1874-22-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1874-22-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1874-22-2 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:2932190090

概述:
2932190090 其他结构上有非稠合呋喃环化合物. 增值税率:17.0% 退税率:9.0% 监管条件:无 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:
2932190090 other compounds containing an unfused furan ring (whether or not hydrogenated) in the structure 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):无

2.氢键供体数量:0

3.氢键受体数量:4

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76

7.重原子数量:12

8.表面电荷:0

9.复杂度:208

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:1

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
  • 698-63-5

    5-硝基糠醛

  • 75-07-0

    乙醛

下游产品

更多
  • 3318-79-4

    5-(4-Morpholinylmethyl)-3-{(E)-[(2E)-3-(5-nitro-2-furyl)-2-propen -1-ylidene]amino}-1,3-oxazolidin-2-one

  • 1672-88-4

    呋喃烯啶

  • 721-71-1

    [(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]urea

  • 90871-23-1

    1-(2-hydroxyethyl)-1-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]urea

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便