2-Bromo-1-[2-(trifluoromethyl)phenyl]ethanone

Modify Date: 2024-01-22 14:55:42

2-Bromo-1-[2-(trifluoromethyl)phenyl]ethanone Structure
2-Bromo-1-[2-(trifluoromethyl)phenyl]ethanone structure
Common Name 2-Bromo-1-[2-(trifluoromethyl)phenyl]ethanone
CAS Number 54109-16-9 Molecular Weight 267.043
Density 1.6±0.1 g/cm3 Boiling Point 257.8±40.0 °C at 760 mmHg
Molecular Formula C9H6BrF3O Melting Point 28-30ºC
MSDS N/A Flash Point 109.7±27.3 °C

 Names

Name 2-Bromo-2'-(trifluoromethyl)acetophenone
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.6±0.1 g/cm3
Boiling Point 257.8±40.0 °C at 760 mmHg
Melting Point 28-30ºC
Molecular Formula C9H6BrF3O
Molecular Weight 267.043
Flash Point 109.7±27.3 °C
Exact Mass 265.955414
PSA 17.07000
LogP 3.16
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.496
Storage condition 2-8°C

 MSDS

Name: 2-Bromo-1-[2-(trifluoromethyl)phenyl]-1-ethanone 95+% Material Safety Data Sheet
Synonym:
CAS: 54109-16-9
Section 1 - Chemical Product MSDS Name:2-Bromo-1-[2-(trifluoromethyl)phenyl]-1-ethanone 95+% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
54109-16-9 2-Bromo-1-[2-(trifluoromethyl)phenyl]- 95+% unlisted
Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes eye burns. Lachrymator (substance which increases the flow of tears).
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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable 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. Store under an inert atmosphere.

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# 54109-16-9: 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: Liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 52 deg C @0.03mmHg
Freezing/Melting Point: Not available.
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: C9H6BrF3O
Molecular Weight: 267.04

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
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# 54109-16-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Bromo-1-[2-(trifluoromethyl)phenyl]-1-ethanone - 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 LIQUID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3265
Packing Group: III
IMO
Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3265
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3265
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# 54109-16-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 54109-16-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 54109-16-9 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Risk Phrases R34
Safety Phrases S26-S36/37/39-S45
RIDADR UN 1759
Hazard Class 8.0
HS Code 2914700090

 Synthetic Route

~90%

2-Bromo-1-[2-(trifluoromethyl)phenyl]ethanone Structure

2-Bromo-1-[2-(t...

CAS#:54109-16-9

Literature: ELI LILLY AND COMPANY Patent: WO2005/19184 A1, 2005 ; Location in patent: Page/Page column 85 ; WO 2005/019184 A1

~61%

2-Bromo-1-[2-(trifluoromethyl)phenyl]ethanone Structure

2-Bromo-1-[2-(t...

CAS#:54109-16-9

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

 Precursor & DownStream

Precursor  2

DownStream  0

 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

2-bromo-1-[2-(trifluoromethyl)phenyl]-1-ethanone
Ethanone, 2-bromo-1-[2-(trifluoromethyl)phenyl]-
2-Bromo-1-[2-(trifluoromethyl)phenyl]ethanone
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