5-(bromoacetyl)-3-phenylisoxazole

Modify Date: 2024-01-10 16:56:27

5-(bromoacetyl)-3-phenylisoxazole Structure
5-(bromoacetyl)-3-phenylisoxazole structure
Common Name 5-(bromoacetyl)-3-phenylisoxazole
CAS Number 14731-14-7 Molecular Weight 266.09100
Density 1.516g/cm3 Boiling Point 416.8ºC at 760mmHg
Molecular Formula C11H8BrNO2 Melting Point 109 °C
MSDS N/A Flash Point 205.9ºC

 Names

Name 2-bromo-1-(3-phenyl-1,2-oxazol-5-yl)ethanone
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.516g/cm3
Boiling Point 416.8ºC at 760mmHg
Melting Point 109 °C
Molecular Formula C11H8BrNO2
Molecular Weight 266.09100
Flash Point 205.9ºC
Exact Mass 264.97400
PSA 43.10000
LogP 2.91920
Vapour Pressure 3.73E-07mmHg at 25°C
Index of Refraction 1.587

 MSDS

Name: 2-Bromo-1-(3-phenylisoxazol-5-yl)ethan-1-one 95+% Material Safety Data Sheet
Synonym: 5-(Bromoacetyl)-3-phenylisoxazol
CAS: 14731-14-7
Section 1 - Chemical Product MSDS Name:2-Bromo-1-(3-phenylisoxazol-5-yl)ethan-1-one 95+% Material Safety Data Sheet
Synonym:5-(Bromoacetyl)-3-phenylisoxazol

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
14731-14-7 2-Bromo-1-(3-phenylisoxazol-5-yl)ethan 95+% unlisted
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.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes 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. 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.
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.

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:
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# 14731-14-7: 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: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 110 - 113 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:
Specific Gravity/Density:
Molecular Formula: C11H8BrNO2
Molecular Weight: 266

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, reducing agents, bases, amines, halogenated agents, halogens.
Hazardous Decomposition Products:
Hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen bromide, bromine.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 14731-14-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Bromo-1-(3-phenylisoxazol-5-yl)ethan-1-one - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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 36/39 Wear suitable protective clothing and
eye/face protection.
WGK (Water Danger/Protection)
CAS# 14731-14-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 14731-14-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 14731-14-7 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 Xi: Irritant;
Risk Phrases R36/37/38
Safety Phrases S26-S36/37/39
HS Code 2934999090

 Synthetic Route

~88%

5-(bromoacetyl)-3-phenylisoxazole Structure

5-(bromoacetyl)...

CAS#:14731-14-7

Literature: Chiarino; Grancini; Frigeni; Biasini; Carenzi Journal of Medicinal Chemistry, 1991 , vol. 34, # 2 p. 600 - 605

~%

5-(bromoacetyl)-3-phenylisoxazole Structure

5-(bromoacetyl)...

CAS#:14731-14-7

Literature: Bioorganic and Medicinal Chemistry, , vol. 7, # 11 p. 2607 - 2613

~%

5-(bromoacetyl)-3-phenylisoxazole Structure

5-(bromoacetyl)...

CAS#:14731-14-7

Literature: Medicinal Chemistry Research, , vol. 10, # 2 p. 69 - 80

~%

5-(bromoacetyl)-3-phenylisoxazole Structure

5-(bromoacetyl)...

CAS#:14731-14-7

Literature: Medicinal Chemistry Research, , vol. 10, # 2 p. 69 - 80

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

5-(Bromoacetyl)-3-phenylisoxazole
MFCD00173898
2-bromo-1-(3-phenylisoxazol-5-yl)ethan-1-one
2-Bromo-1-(3-Phenyl-1,2-Oxazol-5-Yl)Ethan-1-One
2-bromo-1-(3-phenylisoxazol-5-yl)ethanone