1-(2,5-Dichloro-4-sulfophenyl)-5-pyrazolone-3-carboxylic acid
Basic information
- CAS
7253-04-5- Standard SMILES
O=C(O)C1=NN(c2cc(Cl)c(S(=O)(=O)O)cc2Cl)C(=O)C1- InChIKey
YVFMPXVMGPZCRS-UHFFFAOYSA-N- Molecular formula
- C10H6Cl2N2O6S
- Average molar mass
- 353.13 g/mol
- Monoisotopic mass
- 351.9323625
Names & identifiers
- Preferred name
- 1-(2,5-Dichloro-4-sulfophenyl)-5-pyrazolone-3-carboxylic acid
- IUPAC
- 1-(2,5-dichloro-4-sulfophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid
- English name
- 1-(2:5-Dichloro-4-Sulphophenyl) -3- Methyl -5- Pyrazolone
- Molecular formula
- C10H6Cl2N2O6S
- Molecular weight
- 353.14
Names & synonyms
1-(2,5-dichloro-4-sulfophenyl)-5-pyrazolone-3-carboxylic acidRefChem:420550615-778-27253-04-51-(2,5-dichloro-4-sulfophenyl)-5-oxo-4,5-dihydro-1h-pyrazole-3-carboxylic acid1-(2,5-dichloro-4-sulfophenyl)-5-oxo-4H-pyrazole-3-carboxylic acidMLS002693407NSC62685cid_247668CHEMBL1710057DTXSID90993371YVFMPXVMGPZCRS-UHFFFAOYSA-N
Show more names
DCSP (2 : 5 DCSPCP)1-(2:5-Dichloro-4-Sulphophenyl) -3- Methyl -5- Pyrazolone1-(2,5-Dichloro-4-sulfonyl)-5-pyrazolone-3-carboxylic acid1H-Pyrazole-3-carboxylic acid, 1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-5-oxo-
BDBM200224HMS3079B20NSC-62685AKOS024428982SMR001559362
Database identifiers
- CAS
7253-04-5- PubChem CID
- 247668
- DTXSID
DTXSID90993371- ChEMBL
CHEMBL1710057- EC Number
- 615-778-2
- Nikkaji
- J40.186B
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 601
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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