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61-82-5

61-82-5 structural image
Product Name: 3-Amino-1,2,4-Triazole
Formula: C2H4N4
Synonyms: 3-Amino-1,2,4-triazole;AT;3-AT;BPK;3-Amino-1H-1,2,4-triazole
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Amitrole appears as odorless white crystals or white powder. Bitter taste. Melting point 147-159 °C. Sublimes undecomposed at reduced pressure. Used as a post-emergence herbicide.
Color/Form Transparent to off white crystalline powder
Odor Odorless when pure.
Taste Bitter taste
Melting Point 318 °F (NTP, 1992)
Solubility 7.6 [ug/mL] (The mean of the results at pH 7.4)
Density 1.138 at 68 °F (NTP, 1992) - Denser than water; will sink
Vapor Density Relative vapor density (air = 1): 2.9
Vapor Pressure 4.41e-07 mmHg at 68 °F (NTP, 1992)
LogP log Kow= -0.97
Stability/Shelf Life No shelf life limitations
Decomposition When strongly heated it emits highly toxic fumes of /nitrogen oxides/.
Corrosivity MILDLY CORROSIVE TO IRON, ALUMINUM, COPPER, & COPPER ALLOYS.
pH FORMS NEUTRAL AQ SOLN BUT ACTS AS WEAK BASE WITH KB OF 1X10-10
Dissociation Constants pKa1 = 4.2; pKa2 = 10.7
Kovats Retention Index 1300 1324
Other Experimental Properties It will diazotize & couple with several dyes.
Chemical Classes Pesticides -> Herbicides, Other

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P202:Do not handle until all safety precautions have been read and understood.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 84.08 g/mol
XLogP3 -0.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 84.043596145 g/mol
Monoisotopic Mass 84.043596145 g/mol
Topological Polar Surface Area 67.6 Ų
Heavy Atom Count 6
Formal Charge 0
Complexity 44.8
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

3-Amino-1,2,4-triazole appears as odorless white crystals or white powder. Bitter taste. It is Used as a post-emergence herbicide.

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