4-Nitrobenzyl 3-oxobutanoate

Modify Date: 2024-01-02 11:52:57

4-Nitrobenzyl 3-oxobutanoate Structure
4-Nitrobenzyl 3-oxobutanoate structure
Common Name 4-Nitrobenzyl 3-oxobutanoate
CAS Number 61312-84-3 Molecular Weight 237.209
Density 1.3±0.1 g/cm3 Boiling Point 376.5±22.0 °C at 760 mmHg
Molecular Formula C11H11NO5 Melting Point 45ºC
MSDS N/A Flash Point 170.5±24.3 °C

 Names

Name (4-Nitrophenyl)methyl 3-oxobutanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 376.5±22.0 °C at 760 mmHg
Melting Point 45ºC
Molecular Formula C11H11NO5
Molecular Weight 237.209
Flash Point 170.5±24.3 °C
Exact Mass 237.063721
PSA 89.19000
LogP 1.76
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.543

 MSDS

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

 Safety Information

Hazard Codes Xn
HS Code 2918300090

 Synthetic Route

~97%

4-Nitrobenzyl 3-oxobutanoate Structure

4-Nitrobenzyl 3...

CAS#:61312-84-3

Literature: LG LIFE SCIENCES LTD. Patent: WO2004/111013 A1, 2004 ; Location in patent: Page 39-40 ;

~80%

4-Nitrobenzyl 3-oxobutanoate Structure

4-Nitrobenzyl 3...

CAS#:61312-84-3

Literature: Gianotti, Massimo; Martelli, Giorgio; Spunta, Giuseppe; Campana, Eileen; Panunrio, Mauro; Mendozza, Monica Synthetic Communications, 2000 , vol. 30, # 10 p. 1725 - 1730

~94%

4-Nitrobenzyl 3-oxobutanoate Structure

4-Nitrobenzyl 3...

CAS#:61312-84-3

Literature: Gianotti, Massimo; Martelli, Giorgio; Spunta, Giuseppe; Campana, Eileen; Panunrio, Mauro; Mendozza, Monica Synthetic Communications, 2000 , vol. 30, # 10 p. 1725 - 1730

 Customs

HS Code 2918300090
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%

 Synonyms

(4-nitrophenyl)methyl 3-oxobutanoate
Butanoic acid, 3-oxo-, (4-nitrophenyl)methyl ester
4-Nitrobenzyl 3-oxobutanoate
MFCD03648616