7-Fluoro-2,3-dihydro-4H-chromen-4-one

Basic Information

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CAS Number

113209-68-0

Molecular Formula

C9H7FO2

Molecular Weight

166.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

46-50℃

Boiling Point

281.9°C at 760 mmHg

SMILES

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C1COC2=C(C1=O)C=CC(=C2)F

InChI

InChI=1S/C9H7FO2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-2,5H,3-4H2

InChIKey

HRPULQFHSZKTNA-UHFFFAOYSA-N

LogP

1.7909000000000002

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

193

Safety Information

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Hazard Statement

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

Synonyms & References

English

CCG-358098
7-fluorochroman-4-one
Z1198166484
7-Fluoro-4-chromanone
HRPULQFHSZKTNA-UHFFFAOYSA-N
SCHEMBL569174
7-fluoro-2,3-dihydrochromen-4-one
113209-68-0
I11464
DTXSID20562635
7-Fluoro-2,3-dihydro-4H-1-benzopyran-4-one
MFCD06202344
7-fluoro-3,4-dihydro-2H-1-benzopyran-4-one
3,4-dihydro-7-fluoro-2H-1-benzopyran-4-one
7-Fluoro-chroman-4-one
J-519256
CS-W004859
EN300-135823
4H-1-Benzopyran-4-one, 7-fluoro-2,3-dihydro-
FS-3252
AKOS005146416
AM20020221
7-fluoro-2,3-dihydro-4H-chromen-4-one
AC-6191
FT-0600072
SY032000
7-fluoro-4-chromanone, AldrichCPR
BCP26723
7-Fluorochroman-4-one
4H-1-BENZOPYRAN-4-ONE, 7-FLUORO-2,3-DIHYDRO-
4H-1-Benzopyran-4-one,7-fluoro-2,3-dihydro

MDL Number

MFCD06202344

Customs Code

2932999099

FAQ

What are the physical and chemical properties of 7-Fluoro-2,3-dihydro-4H-chromen-4-one (CAS: 113209-68-0)?

7-Fluoro-2,3-dihydro-4H-chromen-4-one is a white to off-white crystalline powder with a molecular weight of approximately 220.07 g/mol. It has low solubility in water but is more soluble in organic solvents like methanol and acetone. This compound is moderately reactive, particularly towards nucleophilic substitution reactions. It exhibits weak acidity and can undergo various transformations in organic synthesis.

How is 7-Fluoro-2,3-dihydro-4H-chromen-4-one (CAS: 113209-68-0) typically synthesized?

7-Fluoro-2,3-dihydro-4H-chromen-4-one can be synthesized via a Wittig reaction, where a phosphonate ester is reacted with an aldehyde in the presence of a base like triphenylphosphine. This method provides good selectivity and yields, making it a common approach in the organic synthesis literature.

What industries use 7-Fluoro-2,3-dihydro-4H-chromen-4-one (CAS: 113209-68-0)?

7-Fluoro-2,3-dihydro-4H-chromen-4-one has applications in pharmaceuticals, where it serves as a precursor in the development of novel drug candidates. It also finds uses in the polymer industry for the synthesis of advanced materials, and in the sensor and semiconductor sectors due to its unique optical and electronic properties.

What precautions should be taken when handling 7-Fluoro-2,3-dihydro-4H-chromen-4-one (CAS: 113209-68-0)?

When handling 7-fluoro-2,3-dihydro-4H-chromen-4-one, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be carried out in a well-ventilated environment or fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be ventilated. Always refer to the safety data sheet (SDS) for detailed handling instructions and emergency procedures.