Basic information
- CAS
1049129-19-2- Standard SMILES
Cc1c(C(=O)O)nnn1-c1cccc2ncccc12- InChIKey
NNNPILZCTONAAQ-UHFFFAOYSA-N- Molecular formula
- C13H10N4O2
- Average molar mass
- 254.24 g/mol
- Monoisotopic mass
- 254.08037557
Names & identifiers
- Preferred name
- 5-methyl-1-(quinolin-5-yl)-1H-1,2,3-triazole-4-carboxylic acid
- IUPAC
- 5-methyl-1-quinolin-5-yltriazole-4-carboxylic acid
- English name
- 1H-1,2,3-Triazole-4-carboxylic acid, 5-methyl-1-(5-quinolinyl)-
- Molecular formula
- C13H10N4O2
- Molecular weight
- 254.24
Names & synonyms
5-methyl-1-(quinolin-5-yl)-1H-1,2,3-triazole-4-carboxylic acid1049129-19-2RefChem:536867983-288-95-methyl-1-quinolin-5-yltriazole-4-carboxylic acidF3375-2870SCHEMBL23611893SMSSF-0536889ZRB12919AKOS002675313ST45175090EN300-73119
Show more names
1H-1,2,3-Triazole-4-carboxylic acid, 5-methyl-1-(5-quinolinyl)-
Z3813978385-methyl-1-(5-quinolyl)-1,2,3-triazole-4-carboxylic acid5-methyl-1-(5-quinolyl)-1H-1,2,3-triazole-4-carboxylic acid5-methyl-1-(quinolin-5-yl)-1H-1,2,3-triazole-4-carboxylicacid
Database identifiers
- CAS
1049129-19-2- PubChem CID
- 28811187
- EC Number
- 983-288-9
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Boiling point
- 542.1 · 542.1±58.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- 3.08 · 3.08±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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