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Product No: CA0045

1,2,4-Triazole, >99.0%

Name: 1,2,4-Triazole
Brand: Chempure

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CAS Number

288-88-0

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About this item

IUPAC name	1H-1,2,4-triazole
canonical smiles	C1=NC=NN1
inchi	InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)
inchi key	NSPMIYGKQJPBQR-UHFFFAOYSA-N
molecular formula	C2H3N3
synonyms	1,2,4-TRIAZOLE 1H-1,2,4-Triazole 288-88-0 4H-1,2,4-triazole Pyrrodiazole
Compound Description	1H-1,2,4-triazole is a 1,2,4-triazole. It is a tautomer of a 3H-1,2,4-triazole and a 4H-1,2,4-triazole.

Computed Properties

Molecular Weight:	69.07 g/mol
XLogP3:	-0.6
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	0
Exact Mass:	69.032697108 g/mol
Monoisotopic Mass:	69.032697108 g/mol
Topological Polar Surface Area:	41.6 Å²
Heavy Atom Count:	5
Formal Charge:	0
Complexity:	28.1
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

Related Compounds

Amitrole

Imidazole

2-Methylimidazole

1,2,4-Triazole

Guanazole

4-Amino-1,2,4-triazole

2-Ethylimidazole

3,5-Dimethyl-4H-1,2,4-triazol-4-amine

2,4-Dimethylimidazole

Lysidine

1,3,5-Triazine

3,5-Dichloro-1H-1,2,4-triazole

3-Chloro-1,2,4-triazole

5-Methyl-4,5-dihydro-1H-imidazole

5-methyl-4H-1,2,4-triazol-3-amine

hazard signal	Danger
hazard classes and categories	Acute Tox. 4 (100%) Eye Irrit. 2 (99.8%) Repr. 1B (37.65%) Repr. 2 (51.57%) Repr. 2 (10.78%) Aquatic Chronic 3 (10.98%) Acute toxicity - category 4 Eye irritation - category 2 Reproductive toxicity - category 1B Reproductive toxicity - Category 1B Hazardous to the aquatic environment (Acute) - Category 3 Hazardous to the aquatic environment (Long-term) - Category 3 Acute toxicity (Oral) - Category 4 Acute toxicity (Dermal) - Category 5 Serious eye damage/eye irritation - Category 2 Reproductive toxicity - Category 2 Repr. 1B Acute Tox. 4 Eye Irrit. 2
precautionary statement codes	P203, P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P318, P330, P337+P317, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (99.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H360FD (37.65%): May damage fertility; May damage the unborn child [Danger Reproductive toxicity] H361 (51.57%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity] H361d (10.78%): Suspected of damaging the unborn child [Warning Reproductive toxicity] H412 (10.98%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
hazards summary	An eye irritant. Can be absorbed through skin. Animal tests show that this substance possibly causes toxicity to human reproduction or development. An eye irritant. An irritant.

symptoms

Eye Symptoms: Redness. Pain.

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About this item

Documentation

Certificate of Analysis

Lot Number

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	1H-1,2,4-triazole
canonical smiles	C1=NC=NN1
inchi	InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)
inchi key	NSPMIYGKQJPBQR-UHFFFAOYSA-N
molecular formula	C2H3N3
synonyms	1,2,4-TRIAZOLE 1H-1,2,4-Triazole 288-88-0 4H-1,2,4-triazole Pyrrodiazole
Compound Description	1H-1,2,4-triazole is a 1,2,4-triazole. It is a tautomer of a 3H-1,2,4-triazole and a 4H-1,2,4-triazole.

Computed Properties

Molecular Weight:	69.07 g/mol
XLogP3:	-0.6
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	0
Exact Mass:	69.032697108 g/mol
Monoisotopic Mass:	69.032697108 g/mol
Topological Polar Surface Area:	41.6 Å²
Heavy Atom Count:	5
Formal Charge:	0
Complexity:	28.1
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

Related Compounds

Amitrole

Imidazole

2-Methylimidazole

1,2,4-Triazole

Guanazole

4-Amino-1,2,4-triazole

2-Ethylimidazole

3,5-Dimethyl-4H-1,2,4-triazol-4-amine

2,4-Dimethylimidazole

Lysidine

1,3,5-Triazine

3,5-Dichloro-1H-1,2,4-triazole

3-Chloro-1,2,4-triazole

5-Methyl-4,5-dihydro-1H-imidazole

5-methyl-4H-1,2,4-triazol-3-amine

hazard signal	Danger
hazard classes and categories	Acute Tox. 4 (100%) Eye Irrit. 2 (99.8%) Repr. 1B (37.65%) Repr. 2 (51.57%) Repr. 2 (10.78%) Aquatic Chronic 3 (10.98%) Acute toxicity - category 4 Eye irritation - category 2 Reproductive toxicity - category 1B Reproductive toxicity - Category 1B Hazardous to the aquatic environment (Acute) - Category 3 Hazardous to the aquatic environment (Long-term) - Category 3 Acute toxicity (Oral) - Category 4 Acute toxicity (Dermal) - Category 5 Serious eye damage/eye irritation - Category 2 Reproductive toxicity - Category 2 Repr. 1B Acute Tox. 4 Eye Irrit. 2
precautionary statement codes	P203, P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P318, P330, P337+P317, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (99.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H360FD (37.65%): May damage fertility; May damage the unborn child [Danger Reproductive toxicity] H361 (51.57%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity] H361d (10.78%): Suspected of damaging the unborn child [Warning Reproductive toxicity] H412 (10.98%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
hazards summary	An eye irritant. Can be absorbed through skin. Animal tests show that this substance possibly causes toxicity to human reproduction or development. An eye irritant. An irritant.

symptoms

Eye Symptoms: Redness. Pain.

Product No: CA0045

1,2,4-Triazole, >99.0%

Product No: CA0045

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

TOXICITY

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: CA0045

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

TOXICITY

Require a Sample Certificate of Analysis (COA) ?