Basic information
- CAS
89-29-2- Standard SMILES
CC1=NN(c2cccc(S(N)(=O)=O)c2)C(=O)C1- InChIKey
ASVVGQURNHNITH-UHFFFAOYSA-N- Molecular formula
- C10H11N3O3S
- Average molar mass
- 253.28 g/mol
- Monoisotopic mass
- 253.05211239
Names & identifiers
- Preferred name
- M-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-YL)benzenesulfonamide
- IUPAC
- 3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonamide
- English name
- 3-Methyl-1-(3'-sulfoamidophenyl)-5-pyrazolone
- Molecular formula
- C10H11N3O3S
- Molecular weight
- 253.28
Names & synonyms
Benzenesulfonamide, 3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-23GE66VPA5Benzenesulfonamide, m-(3-methyl-5-oxo-2-pyrazolin-1-yl)-EINECS 201-895-2NSC 15355NSC-15355DTXSID0058984m-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonamidem-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonamide3-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonamide3-(4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL)BENZENESULFONAMIDEBENZENESULPHONAMIDE, M-(3-METHYL-5-OXO-2-PYRAZOLIN-1-YL)-
Show more names
m-SAMPsulfamidopyrazolonem-sulfamidopyrazolonem-Sulfonamidopyrazolone1-(3'-SULFAMOYL)-3-METHYL-5-PYRAZOLONE3-METHYL-1-(3'-SULFOAMIDOPHENYL)-5-PYRA&1-(3-Sulfaminephenyl)-3-Methyl-5-Pyrazolone1-(3-Sulfamoylphenyl)-3-methyl-5-pyrazolone1-(3-sulfoamidophenyl)-3-Methyl-5-pyrazolone3-METHYL-1-(3'-SULFAMOYLPHENYL)-5-PYRAZOLONE
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 452
Physicochemical properties
- Melting point
- 202 · 202-206 °C(lit.)
- Boiling point
- 541.6 · 541.6±52.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- pka
- 10.04 · 10.04±0.60(Predicted)
- form
- powder to crystal
- color
- Light yellow to Brown
- CAS DataBase Reference
- 89 · 89-29-2(CAS DataBase Reference)
- FDA UNII
- 23 GE66VPA5 · 23GE66VPA5
- EPA Substance Registry System
- 3 · Benzenesulfonamide, 3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)- (89-29-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
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
This chemical does not meet GHS hazard criteria for 72.2% (104 of 144) of all reports.
Warning
H315 (27.8%): 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 144 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (27.8%)
Safety data
- wgk
- 1
- tsca
- TSCA listed
- hs_code
- 2933.79.1500
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonamide, 3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-: ACTIVE
Upstream & downstream products
Downstream products
Suppliers45 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
宁波君龙新材料有限公司0574 88552218 18969899212 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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