54-85-3
Product Name:
Isoniazid
Formula:
C6H7N3O
Synonyms:
Isoniazid;INH;Isonicotinic acid hydrazide;Isonicotinic hydrazide;Isoniazide, 4-Pyridinecarbohydrazide, Isonicotinic acid hydrazide
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Isoniazid appears as odorless colorless or white crystals or white crystalline powder. Taste is slightly sweet at first and then bitter. pH (1% aqueous solution) 5.5-6.5. pH (5% aqueous solution) 6-8. (NTP, 1992) |
|---|---|
| Color/Form | COLORLESS OR WHITE CRYSTALS, OR A WHITE, CRYSTALLINE POWDER |
| Melting Point | 340.5 °F (NTP, 1992) |
| Flash Point | 374 °F (NTP, 1992) |
| Solubility | 13.7 [ug/mL] (The mean of the results at pH 7.4) |
| Vapor Pressure | Negligible (NTP, 1992) |
| LogP | -0.7 |
| LogS | 0.01 |
| Henry's Law Constant | Henry's Law constant = 1.2X10-14 atm-cu m/mole at 25 °C /Estimated/ |
| Stability/Shelf Life | STABLE AT ROOM TEMP FOR MORE THAN 14 DAYS IN AQ SOLN AND MORE THAN 6 WK WHEN STORED AT ABOUT 4 °C. |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| pH | pH of a 1% aqueous solution 5.5 to 6.5 |
| Dissociation Constants | 1.82 (at 20 °C) |
| Collision Cross Section | 125.6 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Kovats Retention Index | 1582 |
| Other Experimental Properties | Can react as weak acid or weak base; can be hydrolyzed to release hydrazine; lysed at hydrazine moiety by redox reactions. |
| Chemical Classes | Other Uses -> Pharmaceuticals |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 137.14 g/mol |
|---|---|
| XLogP3 | -0.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 137.058911855 g/mol |
| Monoisotopic Mass | 137.058911855 g/mol |
| Topological Polar Surface Area | 68 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 120 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Isoniazid appears as odorless colorless or white crystals or white crystalline powder. Taste is slightly sweet at first and then bitter. pH (1% aqueous solution) 5.5-6.5. pH (5% aqueous solution) 6-8. (NTP, 1992)