1-(3,5-Bis(trifluoromethyl)phenyl)-2-bromoethanone

Modify Date: 2024-01-09 16:55:36

1-(3,5-Bis(trifluoromethyl)phenyl)-2-bromoethanone Structure
1-(3,5-Bis(trifluoromethyl)phenyl)-2-bromoethanone structure
Common Name 1-(3,5-Bis(trifluoromethyl)phenyl)-2-bromoethanone
CAS Number 131805-94-2 Molecular Weight 335.040
Density 1.7±0.1 g/cm3 Boiling Point 211.6±35.0 °C at 760 mmHg
Molecular Formula C10H5BrF6O Melting Point 44-46ºC
MSDS N/A Flash Point 81.8±25.9 °C

 Names

Name 3',5'-Bis(trifluoromethyl)-2-bromoacetophenone
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.7±0.1 g/cm3
Boiling Point 211.6±35.0 °C at 760 mmHg
Melting Point 44-46ºC
Molecular Formula C10H5BrF6O
Molecular Weight 335.040
Flash Point 81.8±25.9 °C
Exact Mass 333.942780
PSA 17.07000
LogP 4.58
Vapour Pressure 0.2±0.4 mmHg at 25°C
Index of Refraction 1.449

 MSDS

Name: 2-Bromo-1-[3 5-di(trifluoromethyl)phenyl]ethan-1-one 95+% Material Safety Data Sheet
Synonym: 3,5-Bis(triflluoromethyl)phenacylbromid
CAS: 131805-94-2
Section 1 - Chemical Product MSDS Name:2-Bromo-1-[3 5-di(trifluoromethyl)phenyl]ethan-1-one 95+% Material Safety Data Sheet
Synonym:3,5-Bis(triflluoromethyl)phenacylbromid

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
131805-94-2 2-Bromo-1-[3,5-di(trifluoromethyl)phen 95+% unlisted
Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

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 immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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 foam, dry chemical, or carbon dioxide.

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:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area.

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# 131805-94-2: 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: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 44 - 46 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: C10H5BrF6O
Molecular Weight: 335

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, reducing agents, bases.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen bromide, bromine, fluorine, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 131805-94-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Bromo-1-[3,5-di(trifluoromethyl)phenyl]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
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3261
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing group: III

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 131805-94-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 131805-94-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 131805-94-2 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
Risk Phrases R34
Safety Phrases S26-S36/37/39-S45
RIDADR UN 1760

 Synthetic Route

~88%

1-(3,5-Bis(trifluoromethyl)phenyl)-2-bromoethanone Structure

1-(3,5-Bis(trif...

CAS#:131805-94-2

Literature: Kasai, Shizuo; McGee, JR., Kevin Francis Patent: US2012/71489 A1, 2012 ; Location in patent: Page/Page column 58 ;

~76%

1-(3,5-Bis(trifluoromethyl)phenyl)-2-bromoethanone Structure

1-(3,5-Bis(trif...

CAS#:131805-94-2

Literature: Chen, Zheng-Wang; Ye, Dong-Nai; Ye, Min; Zhou, Zhong-Gao; Li, Shen-Huan; Liu, Liang-Xian Tetrahedron Letters, 2014 , vol. 55, # 7 p. 1373 - 1375

~%

1-(3,5-Bis(trifluoromethyl)phenyl)-2-bromoethanone Structure

1-(3,5-Bis(trif...

CAS#:131805-94-2

Literature: Journal of medicinal chemistry, , vol. 15, # 9 p. 989 - 994

 Synonyms

Ethanone, 1-[3,5-bis(trifluoromethyl)phenyl]-2-bromo-
2-Bromo-1-[3,5-bis(trifluoromethyl)phenyl]ethan-1-one
2-Bromo-1-[3,5-di(trifluoromethyl)phenyl]ethan-1-one
FXFFR CV1E EXFFF
MFCD00792434
1-[3,5-Bis(trifluoromethyl)phenyl]-2-bromoethanone
Top Suppliers:I want be here

No recommended suppliers.

Hot Compounds More...
Dichloromethane
CAS#:75-09-2
Polyacrylic acid
CAS#:9003-01-4
sodium carbonate
CAS#:497-19-8
Silicon dioxide
CAS#:7631-86-9
Triethanolamine
CAS#:102-71-6
Demeton
CAS#:126-75-0
Water
CAS#:7732-18-5
4-(4-Piperidinyl)morpholine dihydrochloride
CAS#:53617-35-9
Diclofenac sodium
CAS#:15307-79-6
Budesonide
CAS#:51372-29-3