Basic information
- CAS
68557-26-6- Standard SMILES
Cc1nc(N)n(-c2ccccc2)n1- InChIKey
KJQUSZYWRCFSBC-UHFFFAOYSA-N- Molecular formula
- C9H10N4
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.09054634
Names & identifiers
- Preferred name
- 3-methyl-1-phenyl-1H-1,2,4-triazol-5-amine
- IUPAC
- 5-methyl-2-phenyl-1,2,4-triazol-3-amine
- English name
- 3-methyl-1-phenyl-1H-1,2,4-triazol-5-amine
- Molecular formula
- C9H10N4
- Molecular weight
- 174.2
Names & synonyms
3-methyl-1-phenyl-1H-1,2,4-triazol-5-amine68557-26-6RefChem:503496830-648-75-methyl-2-phenyl-1,2,4-triazol-3-amineMFCD16845144SCHEMBL15716766ALBB-032734TCA55726AKOS011971417AKOS016911192LS-12218
Show more names
1H-1,2,4-Triazol-5-amine, 3-methyl-1-phenyl-
5-amino-3-methyl-1-phenyl-1,2,4-triazoleEN300-103042H46515Z995040702
Database identifiers
- CAS
68557-26-6- PubChem CID
- 11629673
- EC Number
- 830-648-7
- Nikkaji
- J2.231.853E
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Melting point
- 136 °C · 136 °C(Solv: methanol (67-56-1))
- Boiling point
- 390.7 · 390.7±25.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 4.02 · 4.02±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H315-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319-H315-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers2 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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