3-fluorophthalic acid

Inquiry

Molecular Formula:

C8H5FO4

Molecular Weight:

184.12

CAS Number:

1583-67-1

Catalog Number:

1583-67-1

Product Information

Molecular Formula:

C8H5FO4

Molecular Weight:

184.12

Description

3-fluorophthalic acid emerges as a pivotal reagent in the prodigious fabrication of antipsychotic medications, instrumental in mitigating the debilitating effects of schizophrenia and bipolar disorder.

Synonyms

3-FLUORO-1,2-BENZENEDICARBOXYLIC ACID; 3-FLUOROPHTHALIC ACID; 1,2-Benzenedicarboxylic acid, 3-fluoro-; 3-Fluorophthalic; 3-Fluorophthalic acid 98%; 3-Fluorophthalicacid98%

IUPAC Name

3-fluorophthalic acid

Canonical SMILES

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

InChI

InChI=1S/C8H5FO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)

InChI Key

BBCQSMSCEJBIRD-UHFFFAOYSA-N

Boiling Point

367.9±27.0 °C(Predicted)

Melting Point

170 °C

Purity

97%

Density

1.551g/cm3

Appearance

White to light yellow crystal powder

Storage

Store under inert gas

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

184.01718680 g/mol

Monoisotopic Mass

184.01718680 g/mol

Topological Polar Surface Area

74.6Å²

Heavy Atom Count

Formal Charge

Complexity

228

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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3-fluorophthalic acid

Product Information

Safety Information

Computed Properties

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