3-Fluorophenylalanine

Basic Information

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CAS Number

110117-84-5

Molecular Formula

C9H10FNO2

Molecular Weight

183.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

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

240-248°C

Boiling Point

305°C at 760 mmHg

Specific Rotation

24 ±1 °(c=1%,in H2O)

SMILES

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C1=CC(=CC(=C1)F)CC(C(=O)O)N

InChI

InChI=1S/C9H10FNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1

InChIKey

VWHRYODZTDMVSS-MRVPVSSYSA-N

LogP

0.7801000000000002

Topological Polar Surface Area

63.32000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

187

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

(R)-2-AMINO-3-(3-FLUOROPHENYL)PROPANOIC ACID
EN300-1297344
3-Fluoro-D-phenylalanine
AKOS016842878
D-3-FLUOROPHE
HY-79294
AM83337
MFCD00066449
VWHRYODZTDMVSS-MRVPVSSYSA-N
m-Fluoro-D-phenylalanine
CS-0011436
110117-84-5
(2R)-2-amino-3-(3-fluorophenyl)propanoic acid
(2R)-2-azaniumyl-3-(3-fluorophenyl)propanoate
DS-13612
SCHEMBL288728
AC-5828
D-3-fluorophenylalanine
3-FLUORO-D-PHE
D-PHENYLALANINE, 3-FLUORO-
A802145
3-Fluoro-D-phenylalanine (H-D-Phe(3-F)-OH)
H-D-PHE(3-F)-OH
H-m-Fluoro-D-Phe-OH
D-3-Fluorophe
D-3-FLUOROPHENYLALANINE
H-D-Phe(3-F)-OH
(R)-2-amino-3-(3-fluorophenyl)propionic acid
(R)-3-fluorophenylalanine
3-fluor-d-phenylalanin
AC1LEQE9

MDL Number

MFCD00066449

FAQ

What are the physical and chemical properties of 3-Fluorophenylalanine (CAS: 110117-84-5)?

3-Fluorophenylalanine is a white crystalline solid with a molecular weight of approximately 194.14 g/mol. It has a melting point of about 220-222°C and is slightly soluble in water. It is reactive towards strong bases and can undergo substitution reactions at the fluorine atom. This compound is not highly flammable but can react with strong oxidizers.

How is 3-Fluorophenylalanine (CAS: 110117-84-5) typically synthesized?

3-Fluorophenylalanine can be synthesized by fluorination of phenylalanine using anhydrous hydrogen fluoride or other fluorinating agents. This process requires controlled conditions to avoid over-fluorination. Selectivity and yield can be improved using Lewis acids as catalysts.

What industries use 3-Fluorophenylalanine (CAS: 110117-84-5)?

3-Fluorophenylalanine is utilized in the pharmaceutical industry for the synthesis of certain drugs. It is also used in the production of polymers, sensors, and semiconductors for specific applications requiring modified amino acid structures.

What precautions should be taken when handling 3-Fluorophenylalanine (CAS: 110117-84-5)?

When handling 3-Fluorophenylalanine, use appropriate Personal Protective Equipment (PPE) including gloves and safety glasses. Store in a cool, dry place away from direct sunlight and strong oxidizers. In case of spill, neutralize with a suitable base and dispose of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.