Basic information
- CAS
942-60-9- Standard SMILES
Nc1nncc(-c2ccccc2)n1- InChIKey
IJXBFQUBVHTXGX-UHFFFAOYSA-N- Molecular formula
- C9H8N4
- Average molar mass
- 172.19 g/mol
- Monoisotopic mass
- 172.07489626
Names & identifiers
- Preferred name
- 5-Phenyl-1,2,4-triazin-3-amine
- IUPAC
- 5-phenyl-1,2,4-triazin-3-amine
- English name
- 3-Amino-5-phenyl-1,2,4-triazine
- Molecular formula
- C9H8N4
- Molecular weight
- 172.19
Names & synonyms
5-phenyl-1,2,4-triazin-3-amine942-60-9as-Triazine, 3-amino-5-phenyl-1,2,4-Triazin-3-amine, 5-phenyl-NSC-989298QCE2P56D3RefChem:1073218875-267-7MFCD016791885-phenyl-1,2,4-triazin-3-ylamine3-Amino-5-phenyl-as-triazineNSC 98929
Show more names
3-Amino-5-phenyl-1,2,4-triazine
5-Phenyl-[1,2,4]triazin-3-ylamineBRN 0137313NSC98929NCIOpen2_0020854-26-00-01145 (Beilstein Handbook Reference)SCHEMBL2325695SCHEMBL31009002DTXSID20916194
Database identifiers
- CAS
942-60-9- PubChem CID
- 97081
- DTXSID
DTXSID20916194- UNII
- 8QCE2P56D3
- EC Number
- 875-267-7
- Nikkaji
- J90.933E
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Melting point
- 235 °C · 235 °C
- Boiling point
- 425.2 · 425.2±38.0 °C(Predicted)
- Density
- 1.259 · 1.259±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C, · -20°C, Inert atmosphere
- solubility
- Chloroform (Slightly, Heated and Sonicated), DMSO (Slightly, Sonicated)
- pka
- 3.63 · 3.63±0.63(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H302-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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
- H335-H315-H302-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
Related reactions
6 records
Compound notes
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