2-Propen-1-one,3-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-

Modify Date: 2024-01-10 18:30:40

2-Propen-1-one,3-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)- Structure
2-Propen-1-one,3-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)- structure
Common Name 2-Propen-1-one,3-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-
CAS Number 28081-14-3 Molecular Weight 286.29800
Density 1.182g/cm3 Boiling Point 92-94ºC
Molecular Formula C17H15FO3 Melting Point 90-93ºC(lit.)
MSDS USA Flash Point 207.2ºC

 Names

Name 3,4-dimethoxy-4'-fluorochalcone
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.182g/cm3
Boiling Point 92-94ºC
Melting Point 90-93ºC(lit.)
Molecular Formula C17H15FO3
Molecular Weight 286.29800
Flash Point 207.2ºC
Exact Mass 286.10100
PSA 35.53000
LogP 3.73900
Vapour Pressure 1.18E-07mmHg at 25°C
Index of Refraction 1.579

 MSDS

Name: 3 4-Dimethoxy-4 -fluorochalcone 98% Material Safety Data Sheet
Synonym: 1-(4-Fluorophenyl)-3-(3,4-dimethoxyphenyl)-2-propenone
CAS: 28081-14-3
Section 1 - Chemical Product MSDS Name:3 4-Dimethoxy-4 -fluorochalcone 98% Material Safety Data Sheet
Synonym:1-(4-Fluorophenyl)-3-(3,4-dimethoxyphenyl)-2-propenone

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
28081-14-3 3,4-Dimethoxy-4'-fluorochalcone 98 unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be harmful if inhaled.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, immediately flush skin with plenty of water.
Remove contaminated clothing and shoes. Get medical aid. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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. This material in sufficient quantity and reduced particle size is capable of creating a dust explosion.
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:
Vacuum or sweep up material and place into a suitable disposal container. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with skin and eyes. Avoid breathing dust.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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# 28081-14-3: 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: pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 92 - 94 deg C
Freezing/Melting Point: 88 - 93 deg C
Autoignition Temperature: Not available.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Insoluble.
Specific Gravity/Density:
Molecular Formula: C17H15FO3
Molecular Weight: 286.30

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Dust generation, heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 28081-14-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3,4-Dimethoxy-4'-fluorochalcone - 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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 28081-14-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 28081-14-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 28081-14-3 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes Xi: Irritant;
Risk Phrases 36/37/38
Safety Phrases 37/39-26
RIDADR NONH for all modes of transport
HS Code 2914700090

 Synthetic Route

~73%

2-Propen-1-one,3-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)- Structure

2-Propen-1-one,...

CAS#:28081-14-3

Literature: Bansal, R. K.; Mathur, Suchitra; Jain, Jainendra K.; Sharma, Diwakar Journal of the Indian Chemical Society, 1988 , vol. 65, p. 134 - 136

~%

2-Propen-1-one,3-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)- Structure

2-Propen-1-one,...

CAS#:28081-14-3

Literature: Cardia, Maria Cristina; Sanna, Maria Luisa; Meleddu, Rita; Distinto, Simona; Yanez, Matilde; Vina, Dolores; Lamela, Manuel; Maccioni, Elias Journal of Heterocyclic Chemistry, 2013 , vol. 50, # SUPPL.1 p. E87-E92

~66%

2-Propen-1-one,3-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)- Structure

2-Propen-1-one,...

CAS#:28081-14-3

Literature: Bansal, Raj K.; Bhagchandani, Gope Journal fuer Praktische Chemie (Leipzig), 1981 , vol. 323, # 1 p. 49 - 54

~%

2-Propen-1-one,3-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)- Structure

2-Propen-1-one,...

CAS#:28081-14-3

Literature: Bansal, Raj K.; Bhagchandani, Gope Journal fuer Praktische Chemie (Leipzig), 1981 , vol. 323, # 1 p. 49 - 54

~%

2-Propen-1-one,3-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)- Structure

2-Propen-1-one,...

CAS#:28081-14-3

Literature: Bansal, Raj K.; Bhagchandani, Gope Journal fuer Praktische Chemie (Leipzig), 1981 , vol. 323, # 1 p. 49 - 54

 Customs

HS Code 2914700090
Summary HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

 Synonyms

MFCD01901414