1H-1,2,4-Triazole-3-carboxamide

Basic Information

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CAS Number

3641-08-5

Molecular Formula

C3H4N4O

Molecular Weight

112.09 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

315°C

Boiling Point

393.4°C at 760 mmHg

Density

1.537

Flash Point

191.7 °C

Refractive Index

1.625

SMILES

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C1=NNC(=N1)C(=O)N

InChI

InChI=1S/C3H4N4O/c4-2(8)3-5-1-6-7-3/h1H,(H2,4,8)(H,5,6,7)

InChIKey

ZEWJFUNFEABPGL-UHFFFAOYSA-N

LogP

-1.0964000000000005

Topological Polar Surface Area

84.66 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

104

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

CHEBI:180482
AKOS016001784
ZEWJFUNFEABPGL-UHFFFAOYSA-
AKOS017269537
BS-3499
RIBAVIRIN IMPURITY D [EP IMPURITY]
NSC-80860
S-TRIAZOLE-3-CARBOXAMIDE
BP-20317
EN300-83457
T2402
1,2,4-Triazole-3-formamide
N-Des-1-beta-D-ribofuranosyl Ribavirin
A823234
PS-3438
NSC80860
ICN 1253
NS00127166
3641-08-5
1,2,4-Triazole-3-carboxamide
AC-797
AMY38327
C405ON563A
1H-1,2,4-Triazole-3-carboxamide
1, 2, 4-triazole-3-carboxamide
1H-1,2,4-triazole-5-carboxamide
FT-0601192
Q27275157
Ribavirin Imp. D (EP); Ribavirin USP Related Compound D; Ribavirin USP RC D; 1H-1,2,4-Triazole-3-carboxamide; Ribavirin Related Compound D; Ribavirin Impurity D
NSC 80860
F14916

MDL Number

MFCD03990481

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 1H-1,2,4-Triazole-3-carboxamide (CAS: 3641-08-5)?

1H-1,2,4-Triazole-3-carboxamide (CAS: 3641-08-5) is a crystalline solid with a molecular weight of approximately 155.16 g/mol. It has a melting point of 210-212°C. Soluble in water and ethanol, it is slightly soluble in acetone. It is chemically stable but reacts with strong acids and bases to form amides or carboxylic acids. It is used in various applications due to its unique aromatic structure.

How is 1H-1,2,4-Triazole-3-carboxamide (CAS: 3641-08-5) typically synthesized?

1H-1,2,4-Triazole-3-carboxamide (CAS: 3641-08-5) can be synthesized via the condensation of 1,2,4-triazole and an appropriate carboxylic acid. Common methods include the use of acetic anhydride or acetyl chloride as the carboxylic acid derivative. The reaction is highly selective and the yield is typically around 75-85%.

What industries use 1H-1,2,4-Triazole-3-carboxamide (CAS: 3641-08-5)?

1H-1,2,4-Triazole-3-carboxamide (CAS: 3641-08-5) is used in various industries, including pharmaceuticals for its bioactive properties, as a precursor in polymer synthesis, in the development of sensors for detecting various substances, and in the production of semiconductors due to its electronic properties.

What precautions should be taken when handling 1H-1,2,4-Triazole-3-carboxamide (CAS: 3641-08-5)?

When handling 1H-1,2,4-Triazole-3-carboxamide (CAS: 3641-08-5), it is important to wear appropriate personal protective equipment (PPE), including gloves and goggles. Work in a well-ventilated area or a fume hood to avoid inhalation. Store in a cool, dry place away from strong acids and bases. In case of spill, clean up with appropriate absorbent materials and follow the Material Safety Data Sheet (MSDS) for further instructions.