1,2,4-Triazole-3-sulphonic acid
Basic information
- CAS
13789-27-0- Standard SMILES
O=S(=O)(O)c1ncn[nH]1- InChIKey
OWYWZFDZZRRXCR-UHFFFAOYSA-N- Molecular formula
- C2H3N3O3S
- Average molar mass
- 149.13 g/mol
- Monoisotopic mass
- 148.98951214
Names & identifiers
- Preferred name
- 1,2,4-Triazole-3-sulphonic acid
- IUPAC
- 1H-1,2,4-triazole-5-sulfonic acid
- English name
- 1,2,4-triazole-3-sulphonic acid
- Molecular formula
- C2H3N3O3S
- Molecular weight
- 149.13
Names & synonyms
13789-27-01h-1,2,4-triazole-3-sulfonic acid1H-1,2,4-triazole-5-sulfonic acid1,2,4-Triazole-3-sulphonic acid1H-1,2,4-Triazole-3-sulfonicacidC2H3N3O3SEINECS 237-447-8SCHEMBL3474994SCHEMBL3703289SCHEMBL12050713DTXSID10160361OWYWZFDZZRRXCR-UHFFFAOYSA-N
Show more names
NAA78927AKOS006240814CS-0242092NS00052071EN300-244641Z2235790850
Database identifiers
- CAS
13789-27-0- PubChem CID
- 83735
- DTXSID
DTXSID10160361- EC Number
- 237-447-8
- Nikkaji
- J280.310K
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 182
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, 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 CategoriesSkin Corr. 1C (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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