(1-(2-methylphenyl)-1H-1,2,3-triazol-4-yl)methanol
Basic information
- CAS
1096130-75-4- Standard SMILES
Cc1ccccc1-n1cc(CO)nn1- InChIKey
QTJUUGNDIUSRTF-UHFFFAOYSA-N- Molecular formula
- C10H11N3O
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.09021198
Names & identifiers
- Preferred name
- (1-(2-methylphenyl)-1H-1,2,3-triazol-4-yl)methanol
- IUPAC
- [1-(2-methylphenyl)triazol-4-yl]methanol
- English name
- [1-(2-methylphenyl)-1H-1,2,3-triazol-4-yl]methanol
- Molecular formula
- C10H11N3O
- Molecular weight
- 189.21
Names & synonyms
[1-(2-methylphenyl)-1H-1,2,3-triazol-4-yl]methanol1096130-75-4(1-(2-methylphenyl)-1h-1,2,3-triazol-4-yl)methanolRefChem:391654872-894-8(1-(o-Tolyl)-1H-1,2,3-triazol-4-yl)methanolMFCD11844961[1-(2-methylphenyl)triazol-4-yl]methanol[1-(o-Tolyl)triazol-4-yl]methanolCHEMBL1823285SCHEMBL19211404ALBB-031939
Show more names
(1-o-Tolyl-1H-[1,2,3]triazol-4-yl)-methanol1H-1,2,3-Triazole-4-methanol, 1-(2-methylphenyl)-
WTB13075AKOS011687570LS-11673CS-0239024EN300-204437G58789F656143F2157-0655
Database identifiers
- CAS
1096130-75-4- PubChem CID
- 53474093
- ChEMBL
CHEMBL1823285- EC Number
- 872-894-8
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Melting point
- 58 · 58-59 °C
- Boiling point
- 391.3 · 391.3±44.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 12.94 · 12.94±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-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
- H302-H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
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Compound notes
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