(1,2,4)Triazolo(4,3-a)pyridine-6-carboxylic acid
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Basic information
- CAS
933708-92-0- Standard SMILES
O=C(O)c1ccc2nncn2c1- InChIKey
GWQOULMRAFJVRD-UHFFFAOYSA-N- Molecular formula
- C7H5N3O2
- Average molar mass
- 163.13 g/mol
- Monoisotopic mass
- 163.03817641
Names & identifiers
- Preferred name
- (1,2,4)Triazolo(4,3-a)pyridine-6-carboxylic acid
- IUPAC
- [1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
- English name
- [1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
- Molecular formula
- C7H5N3O2
- Molecular weight
- 163.13
Names & synonyms
[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid933708-92-0DTXSID30659444(1,2,4)Triazolo(4,3-a)pyridine-6-carboxylic acidRefChem:204212DTXCID50610193812-447-6MFCD07376943SCHEMBL214952STL129500AKOS005738338CS-W005345
Show more names
1,2,4]Triazolo[4,3-a]pyridine-6-carboxylicaci[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid ISO 9001：2015 REACH
PB13079BS-13706SY042074[1,2,4]triazolo[4,3-a]pyridine-6-carboxylicacidAM200701191,2,4-Triazolo[4,3-a]pyridine-6-carboxylicacidSBB067380DB-345002
Database identifiers
- CAS
933708-92-0- PubChem CID
- 44558558
- DTXSID
DTXSID30659444- EC Number
- 812-447-6
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- solid
- pka
- 0.16 · 0.16±0.41(Predicted)
- Appearance
- Off-white to yellow Solid
- InChI
- InChI=1S/C7H5N3O2/c11-7(12)5-1-2-6-9-8-4-10(6)3-5/h1-4H,(H,11,12)
- InChIKey
- GWQOULMRAFJVRD-UHFFFAOYSA-N
- SMILES
- C12=NN=CN1C=C(C(O)=O)C=C2
- CAS DataBase Reference
- 933708 · 933708-92-0
- UNSPSC Code
- 12352106 · 12352106
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 280 · P280-P301+P312-P302+P352
- HS Code
- 2933399990 · 2933399990
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 (66.7%): 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)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P280-P301+P312-P302+P352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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