1,1-Dibromo-3,3,3-trifluoroacetone

Modify Date: 2024-01-02 22:47:39

1,1-Dibromo-3,3,3-trifluoroacetone Structure
1,1-Dibromo-3,3,3-trifluoroacetone structure
Common Name 1,1-Dibromo-3,3,3-trifluoroacetone
CAS Number 431-67-4 Molecular Weight 269.843
Density 2.3±0.1 g/cm3 Boiling Point 163.1±35.0 °C at 760 mmHg
Molecular Formula C3HBr2F3O Melting Point 111ºC
MSDS N/A Flash Point 52.4±25.9 °C

 Names

Name 1,1-Dibromo-3,3,3-trifluoroacetone
Synonym More Synonyms

 Chemical & Physical Properties

Density 2.3±0.1 g/cm3
Boiling Point 163.1±35.0 °C at 760 mmHg
Melting Point 111ºC
Molecular Formula C3HBr2F3O
Molecular Weight 269.843
Flash Point 52.4±25.9 °C
Exact Mass 267.834595
PSA 17.07000
LogP 3.76
Vapour Pressure 2.1±0.3 mmHg at 25°C
Index of Refraction 1.451
Storage condition -20°C Freezer

 MSDS

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: 1,1-Dibromo-3,3,3-trifluoroacetone
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H314:Causes severe skin burns and eye damage
H318:Causes serious eye damage
P260:Do not breathe dust/fume/gas/mist/vapours/spray
P303+P361+P353: IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse skin with
water/shower
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P301+P330+P331: IF SWALLOWED: Rinse mouth. Do NOT induce vomiting
P405:Store locked up

Section3. Composition/information on ingredients.
Ingredient name:1,1-Dibromo-3,3,3-trifluoroacetone
CAS number:431-67-4

Section4. First aid measures
Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Storage:Store in closed vessels, refrigerated.

Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section9. Physical and chemical properties
Not specified
Appearance:
Boiling point:No data
Melting point:No data
Flash point:No data
Density:No data
Molecular formula:C3HBr2F3O
Molecular weight:269.8

Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, hydrogen fluoride, hydrogen bromide.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section14. Transportation information
UN Number:UN3265 Class: 8 Packing group: III
Proper shipping name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. (1,1-Dibromo-3,3,3-trifluoroacetone)

Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Hazard Codes Xi: Irritant;T: Toxic;
Risk Phrases R20/21/22;R34
Safety Phrases S23-S26-S36/37/39-S45
RIDADR 2922
Packaging Group III
Hazard Class 8
HS Code 2914700090

 Synthetic Route

~85%

1,1-Dibromo-3,3,3-trifluoroacetone Structure

1,1-Dibromo-3,3...

CAS#:431-67-4

Literature: Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, , vol. 27, # 1-12 p. 1051 - 1053

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1,1-Dibromo-3,3,3-trifluoroacetone Structure

1,1-Dibromo-3,3...

CAS#:431-67-4

Literature: Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), , vol. 36, # 9 p. 1875 - 1880 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, , # 9 p. 2024 - 2030

 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

MFCD00041362
2-Propanone, 3,3-dibromo-1,1,1-trifluoro-
3,3-Dibromo-1,1,1-trifluoroacetone
3,3-Dibromo-1,1,1-trifluoropropan-2-one
1,1-Dibromo-3,3,3-Trifluoroacetone