Sodium 4-fluorobenzoate

Name: Sodium 4-fluorobenzoate
Brand: ChemScene
Availability: InStock
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CAS No. 499-90-1
Cat. No. CS-0157531
Purity≥97%
MDL No.MFCD01661384

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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Structure of 499-90-1

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General Information

CAS No. 499-90-1
Cat. No. CS-0157531
Purity ≥97%
MDL No. MFCD01661384
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄FNaO₂
Molecular Weight 162.09
Synonym(s) sodium,4-fluorobenzoate
SMILES C1=C(C=CC(=C1)F)C(=O)[O-].[Na+]

Description

Danazol is a synthetic gonadotropin inhibitor which has a preventive effect on estrogen -related endometrial carcinogenesis in mice. Danazol therapy has also shown regression of established mammary carcinoma in rats. This medication is used in women to treat pelvic pain and infertility due to a certain uterus disorder (endometriosis) and also to treat breast pain/tenderness/nodules due to a certain breast condition (fibrocystic breast disease). It is also used in both men and women to prevent swelling of the abdomen/arms/legs/face/airway due to a certain congenital disease

Application

Sodium 4-fluorobenzoate serves as a stable, water-soluble precursor for the introduction of the 4-fluorobenzoyl group in synthetic transformations. It facilitates efficient acylation reactions under mild conditions and is compatible with diverse functional groups, enabling straightforward access to fluorinated aromatic scaffolds commonly found in pharmaceutical intermediates and agrochemicals.

Synthesis

Route1
- In-stock
  
  456-22-4
- ~%
- In-stock
  
  499-90-1
References
- Yusof, Nor Saadah M.; Khan, M. Niyaz Langmuir, 2010 , vol. 26, # 13 p. 10627 - 10635
Route2
- In-stock
  
  456-22-4
- 824-78-2
- ~%
- 100-02-7
- In-stock
  
  499-90-1
References
- D'Anna, Francesca; Marullo, Salvatore; Vitale, Paola; Noto, Renato Journal of Organic Chemistry, 2010 , vol. 75, # 14 p. 4828 - 4834

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P233-P260-P261-P264-P271-P280-P302+P352-P304+P340-P340-P362-P403-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 40.13
LogP -2.8068
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Sodium 4-fluorobenzoate

CAS No. 499-90-1

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