5-Fluoro-3-indazolecarboxylic acid

Uses

Product Name: 5-Fluoro-3-indazolecarboxylic acid
CAS No.: 1077-96-9
Chemical Name: 5-Fluoro-3-indazolecarboxylic acid
Synonyms: 5-FLUORO-3-INDAZOLECARBOXYLIC ACID;5-FLUORO-INDAZOLE-3-CARBOXYLIC ACID;5-FLUORO-INDOZOLE-3-CARBOXYLIC ACID;5-Fuoro-1H-indazole-3-carboxylic acid;5-fluoro-1H-indazol-3-carboxylic acid;5-Fuloro-1H-indazole-3-carboxylic acid;5-FLUORO-1H-INDAZOLE-3-CARBOXYLIC ACID;1H-Indazole-3-carboxylic acid, 5-fluoro-;5-Fluoro-1H-indazole-3-carboxylic acid 95%;5-fluoro-1H-indazole-3-carboxylic acid - [F16425]
CBNumber: CB7285718
Molecular Formula: C8H5FN2O2
Formula Weight: 180.14
MOL File: 1077-96-9.mol

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5-Fluoro-3-indazolecarboxylic acid Property

Melting point:: 299 °C
Boiling point:: 445.9±25.0 °C(Predicted)
Density: 1.610±0.06 g/cm3(Predicted)
storage temp.: 2-8°C
pka: 2.89±0.30(Predicted)
Appearance: Light yellow to yellow Solid
InChI: InChI=1S/C8H5FN2O2/c9-4-1-2-6-5(3-4)7(8(12)13)11-10-6/h1-3H,(H,10,11)(H,12,13)
InChIKey: XFHIMKNXBUKQNS-UHFFFAOYSA-N
SMILES: N1C2=C(C=C(F)C=C2)C(C(O)=O)=N1
CAS DataBase Reference: 1077-96-9(CAS DataBase Reference)

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Safety

HS Code: 2917399590

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

TRC

Product number: F595453
Product name: 5-Fluoro-1H-indazole-3-carboxylicacid
Packaging: 500mg
Price: $105
Updated: 2021/12/16

Apolloscientific

Product number: PC448014
Product name: 5-Fluoro-1H-indazole-3-carboxylicacid
Purity: 95%
Packaging: 1g
Price: $110
Updated: 2021/12/16

Apolloscientific

Product number: PC448014
Product name: 5-Fluoro-1H-indazole-3-carboxylicacid
Purity: 95%
Packaging: 5g
Price: $330
Updated: 2021/12/16

Matrix Scientific

Product number: 072253
Product name: 5-Fluoro-1H-indazole-3-carboxylic acid
Purity: 95+%
Packaging: 1g
Price: $416
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: HCH0013606
Product name: 5-FLUORO-3-INDAZOLECARBOXYLIC ACID
Purity: 95.00%
Packaging: 1G
Price: $1034.88
Updated: 2021/12/16

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5-Fluoro-3-indazolecarboxylic acid Chemical Properties,Usage,Production

Uses

5-Fluoroinazole-3-carboxylic acid is a pharmaceutical intermediate.

Chemical Properties

yellow powder

Synthesis Reference(s)

Journal of Heterocyclic Chemistry, 1, p. 239, 1964 DOI: 10.1002/jhet.5570010505

Synthesis

443-69-6

1077-96-9

The general procedure for the synthesis of 5-fluoroindazole-3-carboxylic acid from 5-fluoroindigo is as follows: first, sodium hydroxide (1.24 g, 0.031 mol, 1.03 eq.) was dissolved in water (19 mL) and heated to 50 °C, then 5-fluoroindigo (5 g, 0.03 mol, 1 eq.) was added. 5 minutes later, the resulting deep red solution was cooled to 0 °C, followed by the slow addition of a pre-cooled sodium nitrite (2.07 g, 0.03 mol, 1 eq.) solution in water (10 mL). Immediately thereafter, the cooled 95% sulfuric acid (3.12 mL, 0.06 mol, 1.95 eq.) water (48 mL) solution was added rapidly, controlling the rate of addition to ensure that the temperature did not exceed 4°C. A small amount of ether may be added at the appropriate time to minimize foaming during mixing. After the addition was complete, stirring was continued at less than 4°C for 1 hour. Subsequently, a 35% hydrochloric acid (24 mL) solution of pre-cooled stannous chloride (16.24 g, 0.072 mol, 2.4 eq.) was added and the mixture was stirred for 16 hours. After completion of the reaction, the brown solution was filtered and the resulting brown solid was washed with water to give a final light brown solid product (2.73 g, 51% yield). The NMR hydrogen spectral (MeOH-d4) data of the product were as follows: δH 7.25 (1H, td, J = 9.10 Hz and 2.14 Hz, ArH), 7.60 (1H, dd, J = 9.10 Hz and 4.28 Hz, ArH), 7.74 (1H, dd, J = 9.10 Hz and 2.10 Hz, ArH); LC-MS-EI showed the molecular ion peak m/z 183.1 (MH+, 100).

References

[1] Patent: WO2011/61469, 2011, A1. Location in patent: Page/Page column 34-35
[2] Patent: US2005/250808, 2005, A1. Location in patent: Page/Page column 39
[3] Patent: US2006/142247, 2006, A1. Location in patent: Page/Page column 39
[4] Patent: EP2565192, 2013, A1. Location in patent: Paragraph 0349
[5] Journal of Medicinal Chemistry, 2013, vol. 56, # 15, p. 6259 - 6272

5-Fluoro-3-indazolecarboxylic acid Preparation Products And Raw materials

Raw materials

Preparation Products

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5-Fluoro-3-indazolecarboxylic acid Suppliers

China 98 India 4 Russia 1 United Kingdom 3 United States 22 Global 128

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View Lastest Price from 5-Fluoro-3-indazolecarboxylic acid manufacturers

Shaanxi Dideu Medichem Co. Ltd

Product: 5-Fluoro-3-indazolecarboxylic acid 1077-96-9
Price: US $0.10/KG
Min. Order: 1KG
Purity: 98.0%
Supply Ability: 10
Release date: 2024-07-07

Career Henan Chemical Co

Product: 5-Fluoro-3-indazolecarboxylic acid 1077-96-9
Price: US $1.00/KG
Min. Order: 1KG
Purity: 98%
Supply Ability: 150KG
Release date: 2019-07-01

1077-96-9, 5-Fluoro-3-indazolecarboxylic acidRelated Search:

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5-FLUORO-INDOZOLE-3-CARBOXYLIC ACID

5-FLUORO-1H-INDAZOLE-3-CARBOXYLIC ACID

5-Fuloro-1H-indazole-3-carboxylic acid

5-FLUORO-INDAZOLE-3-CARBOXYLIC ACID

5-FLUORO-3-INDAZOLECARBOXYLIC ACID

5-Fuoro-1H-indazole-3-carboxylic acid

1H-Indazole-3-carboxylic acid, 5-fluoro-

5-fluoro-1H-indazol-3-carboxylic acid

5-Fluoro-1H-indazole-3-carboxylic acid 95%

5-fluoro-1H-indazole-3-carboxylic acid - [F16425]

1077-96-9

pharmacetical

Indazole