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structure of 54-85-3

Isoniazid(CAS 54-85-3)

CAS No.: 54-85-3 Brand: MolBest
M. Ft.: C6H7N3O Cat. No: G9655871
M. Wt.: 137.14 MDL: MFCD00006426
Storage: Store in a cool,dry area. Use: For laboratory research use only
UN No.: UN 2811
Purity Grade Package Stock Price Quantity
98%
Documents:COANMRHPLCSDS
RG 25G In Stock 5 USD
98%
Documents:COANMRHPLCSDS
RG 2.5KG In Stock 116 USD
98%
Documents:COANMRHPLCSDS
RG 25KG In Stock 1058 USD
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Physical and chemical properties of 54-85-3

Acidity coefficient

pKa 2.00/3.60/10.8(H2O) (Uncertain)

Boiling Point

251.97°C (rough estimate)

BRN

119374

carcinogen classification

3 (Vol. 4, Sup 7) 1987

Decomposition

When heated to decomposition it emits toxic fumes of /nitrogen oxides/.

Density

1.2±0.1 g/cm3

Exact Mass

137.058914

Flash Point

> 250 °C

Index of Refraction

1.584

LogP

-0.8

Melting Point

170-173 °C

Merck

14,5186

Molecular Formula

C6H7N3O

Molecular Weight

137.139

Odor

Odorless

pH

pH of a 1% aqueous solution 5.5 to 6.5

pH Range

5.5 - 6.5 at 10 g/l at 25 °C

PSA

68.01000

Sensitivity

Air Sensitive

Stability

Stability Stable, but may be air or light sensitive. Combustible. Incompatible with strong oxidizing agents, chloral, aldehydes, iodine, ferric salts, hypochlorites.

Storage condition

Refrigerator

Vapour Pressure

4.6X10-5 mm Hg at 25 °C /Estimated/

Water Solubility

14 g/100 mL (25 ºC)

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Spectrums of 54-85-3

Attention:
1.The NMR spectrum displayed on the page is a pre-sale reference spectrum and may differ from that of the actual received batch.
2.The accompanying documentation will include the NMR spectrum and purity analysis data for the shipped batch.
Physical sample testing spectrum (NMR) of 54-85-3

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Pictograms

Signal Word

Warning

Hazard Statements

H302 Harmful if swallowed
H315 Causes skin irritation

Safety Data Sheet

Q&A for CAS 54-85-3

1. How can I verify product quality?
Every batch is tested in accordance with ISO 9001 requirements. We provide a Certificate of Analysis (COA), NMR spectrum, purity report, and test methods with each shipment. Third-party retesting is supported, and we offer a full refund if our data is incorrect.

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Applications of 54-85-3

Isoniazid is predominantly used in the treatment and prevention of tuberculosis. It is often part of combination therapy regimens alongside other antitubercular agents like rifampicin and pyrazinamide. Beyond tuberculosis, isoniazid has been explored for potential applications in treating other bacterial infections and even certain psychiatric conditions due to its monoamine oxidase inhibitory properties.

Retrosynthesis analysis of 54-85-3


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