tert-Butyl 4-bromo-2-fluorobenzoate

Basic Information

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CAS Number

889858-12-2

Molecular Formula

C11H12BrFO2

Molecular Weight

275.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CC(C)(C)OC(=O)C1=C(C=C(C=C1)Br)F

InChI

InChI=1S/C11H12BrFO2/c1-11(2,3)15-10(14)8-5-4-7(12)6-9(8)13/h4-6H,1-3H3

InChIKey

ZPGZHSAOCVWZMR-UHFFFAOYSA-N

LogP

3.5435000000000025

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

237

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

H412 Harmful to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

tert-Butyl 4-bromo-2-fluorobenzoate
Benzoic acid,4-bromo-2-fluoro-, 1,1-dimethylethyl ester
4-bromo-2-fluoro-benzoic acid tert-butyl ester
tert-Butyl 2-bromo-4-fluorobenzoate
2-methylpropan-2-yl 4-bromo-2-fluorobenzoate
tert-butyl 4-bromo-2-fluoro-benzoate
t-butyl 4-bromo-2-fluorobenzoate
ZPGZHSAOCVWZMR-UHFFFAOYSA-N
BCP18930
CM12496
XF10094
AS06836
AK105231
SY046218
tert-but
2-Methylpropan-2-yl 4-bromo-2-fluorobenzoate
SCHEMBL643318
2-Methylpropan-2-yl 4-bromo-2-fluorobenzoate; 4-Bromo-2-fluoro-benzoic Acid 1,1-Dimethylethyl Ester
DTXSID80674425
NS00004249
TERT-BUTYL 4-BROMO-2-FLUOROBENZOATE
DTXCID80625174
EN300-345302
MFCD08703426
AC-30114
EC 810-257-8
tert-Butyl4-bromo-2-fluorobenzoate
889858-12-2
DB-371969
AKOS013211450
4-Bromo-2-fluoro-benzoic acid tert-butyl ester

MDL Number

MFCD08703426

Customs Code

2916399090

FAQ

What is tert-Butyl 4-bromo-2-fluorobenzoate (CAS: 889858-12-2)?

tert-Butyl 4-bromo-2-fluorobenzoate is a chemical compound with the CAS number 889858-12-2. It is a colorless to pale yellow liquid with a molecular formula of C11H13BrFO2. This compound is used in various applications including pharmaceuticals and research due to its specific chemical properties.

What are the main uses of tert-Butyl 4-bromo-2-fluorobenzoate (CAS: 889858-12-2)?

tert-Butyl 4-bromo-2-fluorobenzoate is primarily used in the pharmaceutical and research industries. It serves as a valuable intermediate in the synthesis of drugs and other compounds, especially in the development of new medications and materials.

Is tert-Butyl 4-bromo-2-fluorobenzoate (CAS: 889858-12-2) safe?

tert-Butyl 4-bromo-2-fluorobenzoate is generally considered safe when handled properly. However, it should be used with caution due to its chemical reactivity. Proper protective equipment, including gloves and goggles, and a fume hood should be used to minimize exposure. Avoid contact with skin and eyes, and ensure good ventilation during use.

How should tert-Butyl 4-bromo-2-fluorobenzoate (CAS: 889858-12-2) be stored?

tert-Butyl 4-bromo-2-fluorobenzoate should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent degradation. Store it at temperatures below 30°C to ensure stability and safety. Avoid contact with incompatible materials such as strong acids and bases.