3,5-Dimethyl-1H-pyrazole-4-sulfonic acid
Basic information
- CAS
89280-34-2- Standard SMILES
Cc1n[nH]c(C)c1S(=O)(=O)O- InChIKey
XWDFGELFGLFBNB-UHFFFAOYSA-N- Molecular formula
- C5H8N2O3S
- Average molar mass
- 176.2 g/mol
- Monoisotopic mass
- 176.0255633
Names & identifiers
- Preferred name
- 3,5-Dimethyl-1H-pyrazole-4-sulfonic acid
- IUPAC
- 3,5-dimethyl-1H-pyrazole-4-sulfonic acid
- English name
- 3,5-dimethyl-1H-pyrazole-4-sulfonic acid
- Molecular formula
- C5H8N2O3S
- Molecular weight
- 176.19
Names & synonyms
3,5-Dimethyl-1H-pyrazole-4-sulfonic acid89280-34-2DTXSID30338348RefChem:271886DTXCID402894331H-Pyrazole-4-sulfonic acid, 3,5-dimethyl-3,5-dimethylpyrazole-4-sulfonic acid3,5-Dimethyl-4-pyrazolesulfonic acidCambridge id 5102348SCHEMBL4941214XWDFGELFGLFBNB-UHFFFAOYSA-NPDA28034
Show more names
SBB079268AKOS0051698733,5-Dimethyl-1H-pyrazole-4-sulfonicacidCS-02223513,5-Dimethyl-1H-pyrazole-4-sulfonic acid #EN300-110913G23057
Database identifiers
- CAS
89280-34-2- PubChem CID
- 548613
- DTXSID
DTXSID30338348- EC Number
- 184-151-9
- Nikkaji
- J3.086.586C
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Density
- 1.514 · 1.514±0.06 g/cm3(Predicted)
- pka
- -1.88 · -1.88±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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…