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Home> Encyclopedia >Pharmaceutical Intermediates>Organic Intermediate>Organic Intermediates
Ethyl bromodifluoroacetate structure
Ethyl bromodifluoroacetate structure

Ethyl bromodifluoroacetate

Iupac Name:ethyl 2-bromo-2,2-difluoroacetate
CAS No.: 667-27-6
Molecular Weight:202.982106
Modify Date.: 2022-11-11 20:35
Introduction: Ethyl bromodifluoroacetate is usually used in the preparation of substituted ethyl 2′-pyridyldifluoroacetates,4-alkoxymethyl- and 4-aryloxymethyl-3,3-difluoropiperidines,α,α-difluoro-β-lactams,mono- and difluoromethylated phenanthridine derivatives. View more+
1. Names and Identifiers
1.1 Name
Ethyl bromodifluoroacetate
1.2 Synonyms

2-Bromo-2,2-difluoro-1-ethoxyethan-1-one, 2-Bromo-2,2-difluoro-1-ethoxy-1-oxoethane 2-Bromo-2,2-difluoroacetic acid ethyl ester Acetic acid, 2-bromo-2,2-difluoro-, ethyl ester Acetic acid, bromodifluoro-, ethyl ester BROMODIFLUOROACETIC ACID ETHYL ESTER Difluorobromoacetic acid ethyl ester Ethyl 2,2-Difluoro-2-Bromoac Ethyl 2-bromo-2,2-difluoroacetate Ethyl bromodifluoroa Ethyl difluorobromoacetate

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1.3 CAS No.
1.4 CID
1.6 Molecular Formula
C4H5BrF2O2 (isomer)
1.7 Inchi
1.8 InChIkey
1.9 Canonical Smiles
1.10 Isomers Smiles
2. Properties
2.1 Density
2.1 Boiling point
2.1 Refractive index
2.1 Flash Point
2.1 Precise Quality
2.1 PSA
2.1 logP
2.1 Solubility
Soluble in most organic solvents.
2.2 Appearance
Transparent liquid
2.3 Storage
Ambient temperatures.
2.4 Chemical Properties
clear colorless to slightly yellow liquid
2.5 Color/Form
Clear colorless to slightly yellow
2.6 Water Solubility
Soluble in most organic solvents.
2.7 StorageTemp
Flammables area
3. Use and Manufacturing
3.1 Usage
Ethyl bromodifluoroacetate is usually used in the preparation of substituted ethyl 2′-pyridyldifluoroacetates,4-alkoxymethyl- and 4-aryloxymethyl-3,3-difluoropiperidines,α,α-difluoro-β-lactams,mono- and difluoromethylated phenanthridine derivatives.
4. Safety and Handling
4.1 Hazard Codes
4.1 Risk Statements
4.1 Safety Statements
4.1 Packing Group
4.1 Hazard Class
UN 2924
4.1 WGK Germany
4.1 Safety

Hazard Codes:?CorrosiveC,FlammableF,IrritantXi
Risk Statements: 10-34-36
R34:Causes burns.?
R36:Irritating to eyes.
Safety Statements: 26-36/37/39-45-16-27
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.?
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)?
S16:Keep away from sources of ignition.?
S27:Take off immediately all contaminated clothing.
RIDADR: UN 2924 3/PG 2
WGK Germany: 3
Hazard Note: Irritant/Flammable
HazardClass: 3
PackingGroup: II
Wear appropriate NIOSH/MSHA- approved respirator, chemical resistant gloves, safety goggles and other protective clothing.
Do not breathe vapor.
Have safety shower and eye wash available. Use only in a chemical fume hood.
Do not get in eyes, on skin, on clothing.
Keep container closed. Store in a cool dry place.
Wash thoroughly after handling.

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4.2 Specification

Chemical Stability: Stable under normal temperatures and pressures.
Conditions to Avoid: Incompatible materials, ignition sources.
Incompatibilities with Other Materials Strong oxidizing agents, strong reducing agents, strong bases.
Hazardous Decomposition Products Carbon monoxide, carbon dioxide, hydrogen fluoride gas, hydrogen bromide, bromine, fluorine.
Hazardous Polymerization Has not been reported.

4.3 Toxicity

?Ethyl bromodifluoroacetate (CAS NO.667-27-6) is Harmful if swallowed, inhaled or absorbed through skin. Vapor or mist is irritating to the eyes, mucous membranes and upper respiratory tract. To the best of our knowledge, the chemical, physical and toxicological properties of Ethyl bromodifluoroacetate (CAS NO.667-27-6) have not been thoroughly investigated.
RTECS#: CAS# 667-27-6: None listed
LD50/LC50: RTECS: Not available.
Carcinogenicity: Ethyl bromodifluoroacetate - Not listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65.
Other: The toxicological properties have not been fully investigated.


2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 2

Skin corrosion, Category 1B

2.2 GHS label elements, including precautionary statements

Signal word


Hazard statement(s)

H225 Highly flammable liquid and vapour

H314 Causes severe skin burns and eye damage

Precautionary statement(s)

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P233 Keep container tightly closed.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

P242 Use non-sparking tools.

P243 Take action to prevent static discharges.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P264 Wash ... thoroughly after handling.


P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P370+P378 In case of fire: Use ... to extinguish.

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P363 Wash contaminated clothing before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P310 Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.


P403+P235 Store in a well-ventilated place. Keep cool.

P405 Store locked up.


P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification


9. Other Information
9.0 Usage
Ethyl bromodifluoroacetate, is used for the treatment of the Reformat sky reagent with aldehydes and ketones affords 2,2-difluoro-3-hydroxy esters. It is also used in the analysis of reagent purity through IR, NMR.
10. Computational chemical data
  • Molecular Weight: 202.982106g/mol
  • Molecular Formula: C4H5BrF2O2
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 201.94410
  • Monoisotopic Mass: 201.94410
  • Complexity: 115
  • Rotatable Bond Count: 3
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Topological Polar Surface Area: 26.3
  • Heavy Atom Count: 9
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
11. Question & Answer
  • Background and Overview[1] Ethyl bromodifluoroacetate is an intermediate for the synthesis of pharmaceuticals and high-energy materials, such as the intermediate for the anti-tumor drug gemcitabine. P..
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