4-硝基乙酰乙酸苄酯

4-硝基乙酰乙酸苄酯 基本信息
CAS号 61312-84-3 分子式 C11H11NO5
分子量 237.20900 精确质量  237.06400
PSA  89.19000 LogP  2.14030

基本信息 展开↓

CAS号:
61312-84-3
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分子式:
C11H11NO5
分子量:
237.20900
中文名称:
4-硝基乙酰乙酸苄酯
英文名称:
(4-Nitrophenyl)methyl 3-oxobutanoate
中文别名:
4-硝基乙酰乙酸苄酯;
对硝基苄基乙酰乙酸乙酯;
乙酰乙酸对硝基苄酯;
对硝基乙酰乙酸苄酯
英文别名:
(4-Nitrophenyl)methyl 3-oxobutanoate;
(4-nitrophenyl)methyl 3-oxobutanoate
精确分子量/精确质量:
237.06400
极性分子表面积/PSA:
89.19000
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。
InChI:
InChI=1/C11H11NO5/c1-8(13)6-11(14)17-7-9-2-4-10(5-3-9)12(15)16/h2-5H,6-7H2,1H3

物化性质展开↓

外观与性状:
黄色结晶粉末
密度:
1.287g/cm3
熔点:
45ºC
沸点:
376.5ºC at 760 mmHg
闪点:
170.5ºC
折射率:
1.542

安全信息

海关代码:
2918300090

合成路线查看所有的合成路线

  • 674-82-8

    双乙烯酮

  • +

  • 619-73-8

    对硝基苯甲醇

  • ~97%

  • 61312-84-3

    4-硝基乙酰乙酸苄酯

  • 619-73-8

    对硝基苯甲醇

  • +

  • 5394-63-8

    2,2,6-三甲基-4H-1,3-二英-4-酮

  • ~94%

  • 61312-84-3

    4-硝基乙酰乙酸苄酯

MSDS 展开↓

Name: p-Nitrobenzyl acetoacetate Material Safety Data Sheet
Synonym:
CAS: 61312-84-3
Section 1 - Chemical Product   MSDS Name:p-Nitrobenzyl acetoacetate Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
61312-84-3 p-Nitrobenzyl acetoacetate unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
Non-irritating to the eyes.
Skin:
Non-irritating to the skin. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
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.
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.
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# 61312-84-3: 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: Solid
Color: Not available.
Odor: odorless
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 44 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: <0,1% (20C)
Specific Gravity/Density:
Molecular Formula: C11H11NO5
Molecular Weight: 237.21

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

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 61312-84-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
p-Nitrobenzyl acetoacetate - 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# 61312-84-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 61312-84-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 61312-84-3 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:2918300090

概述:
2918300090 其他含醛基或酮基不含其他含氧基羧酸(包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 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:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

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