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4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)benzenesulphonamide

HCID 75972
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
2744-49-2
Standard SMILES
NS(=O)(=O)c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1
InChIKey
VZTHUHAJEZPWNC-UHFFFAOYSA-N
Molecular formula
C15H14ClN3O2S
Average molar mass
335.8 g/mol
Monoisotopic mass
335.0495256

Names & identifiers

Preferred name
4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)benzenesulphonamide
IUPAC
4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
English name
Fluorescent Brightener 121
Molecular formula
C15H14ClN3O2S
Molecular weight
335.81

Names & synonyms

Fluorescent brightener 1212744-49-24-(3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamideBELOFOR SNPA5J494GKT53EINECS 220-378-2CI FLUORESCENT BRIGHTENER 121Benzenesulfonamide, 4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-CI 50510CI FLUORESCENT BRIGHTENING AGENT 121DTXSID6062620Benzenesulfonamide, 4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-
Show more names
c.i. 50510BlankophorMan01Fluorescent Brightener 121 ISO 9001:2015 REACH4-[3-(4-Chlorphenyl)-4,5-dihydro-1H-pyrazol-1-yl]benzolsulfonamidBenzenesulfonamide, 4-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl-4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]benzenesulphonamide4-[3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazole-1-yl]benzenesulfonamide4-[[3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol]-1-yl]benzenesulfonamide
1-(p-sulfamoylphenyl)-3-(p-chlorophenyl)-2-pyrazoline3-(4-Chlorophenyl)-1-(4-sulfamoylphenyl)-2-pyrazoline4-(3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)benzenesulphonamide4-[3-(4-chlorophenyl)-4,5-dihydro-1h-pyrazol-1-yl]benzenesulfonamideBENZENESULFONAMIDE, P-(3-(P-CHLOROPHENYL)-2-PYRAZOLIN-1-YL)-1-(P-SULFAMOYLPHENYL)-3-(P-CHLOROPHENYL)PYRAZOLINE1-(P-SULFAMYLPHENYL)-3-(P-CHLOROPHENYL)PYRAZOLINE3-(P-CHLOROPHENYL)-1-(P-SULFAMIDOPHENYL)-2-PYRAZOLINE

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
84.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
22
Formal charge
0
Complexity
515

Physicochemical properties

Melting point
218 · 218-219°C
Boiling point
535.2 · 535.2±60.0 °C(Predicted)
Density
1.45 · 1.45
pka
10.39 · 10.39±0.10(Predicted)
LogP
2.56 at · 2.56 at 30℃
FDA UNII
5 J494GKT53 · 5J494GKT53
EPA Substance Registry System
4 · Benzenesulfonamide, 4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]- (2744-49-2)
TSCA
TSCA listed
REACH Registrations
Active

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 · 3 items

This chemical does not meet GHS hazard criteria for 100% (45 of 45) of all reports.

Not Classified

Aggregated GHS information provided per 45 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 3 items

Chemical: Benzenesulfonamide, 4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-

REACH registered substance: 4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]benzenesulphonamide (EC: 220-378-2)

Benzenesulfonamide, 4-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesNot Classified

Safety data

tsca
TSCA listed
REACH Registrations
Active

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenesulfonamide, 4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-: ACTIVE

Suppliers9 total

HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
海蔚化学86-21-51086038 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
重庆卡兰医药有限公司[email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes

Database identifiers

CAS
2744-49-2
PubChem CID
75972
DTXSID
DTXSID6062620
UNII
5J494GKT53
EC Number
220-378-2
Nikkaji
J299.204C