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1H-1,2,4-Triazol-5-amine

1H-1,2,4-Triazol-5-amine structure

CAS No:
61-82-5
Formula:
C2H4N4
Chemical Name:
1H-1,2,4-Triazol-5-amine
Synonyms:
1H-1,2,4-Triazol-5-amine;s-Triazole,3-amino-;1H-1,2,4-Triazol-3-amine;1H-1,2,4-Triazole,3-amino-;3,A-T;ENT 25445;3-Aminotriazole;3-Amino-s-triazole;3-Amino-1H-1,2,4-triazole;3-Amino-1,2,4-triazole;Amitrol;Amitrol 90;Amitrole;Amizol;AT;ATA;Cytrole;Weedazol;Aminotriazole (plant regulator);Cytrol;2-Amino-1,3,4-triazole;Herbidal total;5-Amino-1,2,4-triazole;Azaplant;5-Amino-1H-1,2,4-triazole;2,3,5,6-Tetraazabicyclo[2.1.1]hex-1-ene;ATA (amine);1H-1,2,4-Triazol-3-ylamine;NSC 34809;NSC 7243;Amerol;Azolan;Herbizole;Amitrol T;Maxata;3-Amino-2H-1,2,4-triazole;1H-1,2,4-Triazolamine;TMG;(4H-1,2,4-Triazol-3-yl)amine;4H-3-Amino-1,2,4-triazole;1,2,4-Triazol-5-amine;A 0432;3-AT;155-25-9;6051-75-8;11121-00-9;16681-74-6;29212-82-6;30922-30-6;63598-72-1;64598-23-8;151517-46-3;1057722-43-6;2356230-47-0
Categories:
Analytical Chemistry > Standard

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Description

white powder or crystals Amitrole is a colorless to off-white crystalline solid or white powder. Odorless when pure.

1H-1,2,4-Triazol-5-amine Basic Attributes

Molecular Weight：

84.08

Exact Mass：

84.08

BRN：

107687

EC Number：

200-521-5

HScode：

29339990

Characteristics

PSA：

67.6

XLogP3：

-0.97

Appearance：

White to off-white or yellow Powder or Flakes

Density：

1.138 x 10^-3 g/cm³ @ Temp: 20 °C

Melting Point：

159 °C

Boiling Point：

244.9ºC at 760 mmHg

Flash Point：

101.9ºC

Refractive Index：

1.739

Water Solubility：

H2O: 280 g/L (20 ºC)

Storage Conditions：

−20°C

Vapor Pressure：

Vapour pressure, kPa at 20°C: (negligible)

Vapor Density：

Relative vapour density (air = 1): 2.9

Toxicity：

Oral-Rat LD50: 1100 mg/kg; Oral-Mouse LD50: 14700 mg/kg

Flammability characteristics：

Combustion produces toxic nitrogen oxide gas

Odor：

Odorless when pure.

Taste：

Bitter taste

PH：

FORMS NEUTRAL AQ SOLN BUT ACTS AS WEAK BASE WITH KB OF 1X10-10

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3077 9/PG 3

wgk germany：

hazard class code：

48/22-51/53-63-40-61

safety instructions：

13-36/37-61-45-53

RTECS Number：

XZ3850000

Marks：

Xn,N,T

Storage features：

The warehouse is ventilated, low temperature and dry; stored and transported separately from food materials

Stability/Shelf Life：

Stable. Incompatible with iron, copper, aluminium, acids, alkalies, strong oxidizing agents, acid chlorides, acid anhydrides. Forms chelates with some metals. Moisture sensitive.

Precautionary statement(s)：

P201, P202, P260, P273, P281, P308+P313, P314, P391, P405, P501

Hazard Statements：

H361D

Toxicity

Toxicity class：

moderately toxic

1H-1,2,4-Triazol-5-amine Use and Manufacturing

Methods of Manufacturing

It is obtained by cyclization of hydrazine hydrate, cyanamide, formic acid; or by the action of aminoguanidine bicarbonate and formic acid, and then heating and cyclization; or guanidine nitrate can be used as a raw material, first reacting with acetic acid at a temperature of 5-15 ℃ 8h, and then react with oxalic acid, and finally obtained by circling and refluxing for 5h.

Uses

Herbicide; plant regulator.

Computed Properties

Molecular Weight:84.08
XLogP3:-0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:84.043596145
Monoisotopic Mass:84.043596145
Topological Polar Surface Area:67.6
Heavy Atom Count:6
Complexity:44.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Benzylamine

Formic acid

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