5-Phenyl-1,2,3-thiadiazole-4-carboxylic acid
Basic information
- CAS
58792-15-7- Standard SMILES
O=C(O)c1nnsc1-c1ccccc1- InChIKey
XPQVOJPPGWAQKB-UHFFFAOYSA-N- Molecular formula
- C9H6N2O2S
- Average molar mass
- 206.22 g/mol
- Monoisotopic mass
- 206.01499861
Names & identifiers
- Preferred name
- 5-Phenyl-1,2,3-thiadiazole-4-carboxylic acid
- IUPAC
- 5-phenylthiadiazole-4-carboxylic acid
- English name
- 1,2,3-Thiadiazole-4-carboxylicacid, 5-phenyl-
- Molecular formula
- C9H6N2O2S
- Molecular weight
- 206.22
Names & synonyms
5-phenyl-1,2,3-thiadiazole-4-carboxylic acid58792-15-75-phenylthiadiazole-4-carboxylic acid1,2,3-Thiadiazole-4-carboxylicacid, 5-phenyl-NSC19789SCHEMBL2213807DTXSID40974317ICA79215MFCD07376393NSC-19789SY509691DB-155575
Show more names
5-Phenyl-[1,2,3]thiadiazole-4-carboxylic acid
CS-0257488EN300-6733057Z1269149983
Database identifiers
- CAS
58792-15-7- PubChem CID
- 227767
- DTXSID
DTXSID40974317- EC Number
- 182-157-6
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Melting point
- 156 · 156-157 °C (decomp)
- Boiling point
- 380 · 380.0±34.0 °C(Predicted)
- Density
- 1.44 · 1.440±0.06 g/cm3(Predicted)
- pka
- 2.05 · 2.05±0.10(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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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