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4-Amino-1,2,4-triazole

4-Amino-1,2,4-triazole structure

CAS No:
584-13-4
Formula:
C2H4N4
Chemical Name:
4-Amino-1,2,4-triazole
Synonyms:
4H-1,2,4-Triazol-4-amine;4H-1,2,4-Triazole,4-amino-;4-Amino-1,2,4-triazole;4-Amino-1,2,4(4H)-triazole;4-Amino-4H-1,2,4-triazole;1-Amino-1H-1,3,4-triazole;1-Amino-1,3,4-triazole;1,2,4-Triazol-4-amine;1,2,4-Triazol-4-ylamine;1,2,4-Triazole-4-amine;NSC 3263;NSC 7242;A 1137
Categories:
Pharmaceutical Intermediates > Antineoplastics

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Description

white to off-white or beige crystalline powder

4-Amino-1,2,4-triazole Basic Attributes

Molecular Weight：

84.08

Exact Mass：

84.08

BRN：

107563

EC Number：

202-799-3

UNII：

O57Y04816H

NSC Number：

7242|3263

DSSTox ID：

DTXSID9033058

HScode：

2933990090

Characteristics

PSA：

56.7

XLogP3：

-0.8

Appearance：

White to off-white or beige Crystalline Powder

Density：

1.6±0.1 g/cm3

Melting Point：

81 °C

Boiling Point：

255 °C(lit.)

Flash Point：

>230 °F

Refractive Index：

1.739

Water Solubility：

H2O: 810 g/L (20 ºC);methanol: 0.1 g/mL, clear

Storage Conditions：

Store below +30°C.

Safety Information

wgk germany：

hazard class code：

36/37/38-42/43

safety instructions：

26-36

RTECS Number：

XZ3850200

Marks：

Xn,Xi

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (36.96%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 94 companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-amino-1,2,4-triazole

4-Amino-1,2,4-triazole Use and Manufacturing

Methods of Manufacturing

Heated by formyl hydrazide. Heat the formyl hydrazide under normal pressure for 3 hours, increase the bath temperature from 50°C to 200°C, then cool to about 100°C, dissolve the syrup in 95% ethanol, add activated carbon for decolorization, and then use diethyl ether for the filtrate Dilute, cool to crystallize, and filter. Wash with 1:2 ethanol-ether mixed solvent and dry to obtain crude product, then recrystallize with 95% hot ethanol and ether to obtain pure product. Formamide can be obtained by reacting ethyl formate and hydrazine hydrate.

Uses

Used in organic synthesis.

Computed Properties

Molecular Weight:84.08
XLogP3:-0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:84.043596145
Monoisotopic Mass:84.043596145
Topological Polar Surface Area:56.7
Heavy Atom Count:6
Complexity:38.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Ethanol

Formic acid

Nitrogen

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