ChemicalBook > CAS DataBase List > 3-Isothiazolecarboxylic acid

3-Isothiazolecarboxylic acid

Product Name: 3-Isothiazolecarboxylic acid
CAS No.: 4576-90-3
Chemical Name: 3-Isothiazolecarboxylic acid
Synonyms: 3-Carboxyisothiazole;3-Isothiazolecarboxylic 3-ISOTHIAZOLE CARBOXYLIC ACID;isothiazole-3-carboxylic acid;1,2-thiazole-3-carboxylic acid;Isothiazole-3-carboxylicacid97%;Isothiazole-3-carboxylic acid 97%;3-Carboxyisothiazole, 1,2-Thiazole-3-carboxylic acid
CBNumber: CB7966464
Molecular Formula: C4H3NO2S
Formula Weight: 129.14
MOL File: 4576-90-3.mol

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3-Isothiazolecarboxylic acid Property

Boiling point:: 178 °C
Density: 1.525
Flash point:: 62 °C
storage temp.: 2-8°C
pka: 1.08±0.10(Predicted)
form: solid
color: Beige

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Safety

HS Code: 2934100090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

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

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P337+P313IF eye irritation persists: Get medical advice/attention.

P362Take off contaminated clothing and wash before reuse.

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N-Bromosuccinimide Price

TRC

Product number: I917613
Product name: 3-Isothiazolecarboxylicacid
Packaging: 10mg
Price: $90
Updated: 2021/12/16

TRC

Product number: I917613
Product name: 3-Isothiazolecarboxylicacid
Packaging: 100mg
Price: $385
Updated: 2021/12/16

Frontier Specialty Chemicals

Product number: I13225
Product name: Isothiazole-3-carboxylicacid
Purity: 95%
Packaging: 500mg
Price: $361
Updated: 2021/12/16

Matrix Scientific

Product number: 070633
Product name: Isothiazole-3-carboxylic acid
Purity: 95%
Packaging: 250mg
Price: $405
Updated: 2021/12/16

SynQuest Laboratories

Product number: 8H21-1-Z1
Product name: Isothiazole-3-carboxylic acid
Purity: 97.0%
Packaging: 250mg
Price: $199
Updated: 2021/12/16

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3-Isothiazolecarboxylic acid Chemical Properties,Usage,Production

Uses

3-Isothiazolecarboxylic acid

Synthesis

693-92-5

4576-90-3

The general procedure for the synthesis of isothiazole-3-carboxylic acid using 3-methylisothiazole as starting material was as follows: chromium(IV) oxide (9.00 mmol) was added batchwise to a solution of 3-methylisothiazole (3.03 mmol) dissolved in fuming sulphuric acid (10 mL) under the condition of ice bath at 0°C. The reaction mixture was gradually warmed to room temperature and the reaction was stirred at this temperature for 16 hours. Upon completion of the reaction, the mixture was diluted with ice water (100 mL) followed by multiple extractions with ether (6 x 200 mL). All organic phases were combined, dried with anhydrous sodium sulfate and concentrated under reduced pressure to remove the solvent. The resulting crude product was purified by preparative high performance liquid chromatography (HPLC) to give isothiazole-3-carboxylic acid in 13% yield as a white solid. The structure of the product was confirmed by 1H-NMR (400 MHz, DMSO-d6) and LC/MS: 1H-NMR δ 3.43 (s, 1H), 9.17 (d, 1H), 7.80 (d, 1H), 3.43 (s, 1H); LC/MS (ESI) m/z [M + 1]+ 128.

References

[1] Patent: WO2018/160878, 2018, A1. Location in patent: Page/Page column 183
[2] Patent: WO2009/55437, 2009, A2. Location in patent: Page/Page column 66
[3] Journal of the Chemical Society, 1965, p. 7274 - 7276
[4] Journal of the Chemical Society, 1965, p. 7277 - 7282

3-Isothiazolecarboxylic acid Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 3-Isothiazolecarboxylic acid manufacturers

Career Henan Chemical Co

Product: 3-Isothiazolecarboxylic acid 4576-90-3
Price: US $1.00/KG
Min. Order: 1g
Purity: 99.0%
Supply Ability: 100kg
Release date: 2020-01-10

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