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1-(3′-Sulfophenyl)-3-methyl-5-pyrazolone

1-(3′-Sulfophenyl)-3-methyl-5-pyrazolone structure

CAS No:
119-17-5
Formula:
C10H10N2O4S
Chemical Name:
1-(3′-Sulfophenyl)-3-methyl-5-pyrazolone
Synonyms:
Benzenesulfonic acid,3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-;Benzenesulfonic acid,m-(3-methyl-5-oxo-2-pyrazolin-1-yl)-;3-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonic acid;m-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid;3-Methyl-1-(m-sulfophenyl)-2-pyrazolin-5-one;1-(3-Sulfophenyl)-3-methyl-5-pyrazolone;3-Methyl-1-(3-sulfophenyl)-5-pyrazolone;3-Methyl-1-(3′-sulfophenyl)-5-pyrazolone;1-(3′-Sulfophenyl)-3-methyl-5-pyrazolone;3-(3-Methyl-5-oxo-4,5-dihydropyrazol-1-yl)benzenesulfonic acid;NSC 15354;NSC 50668;123633-48-7
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

light yellow crystalline powder

1-(3′-Sulfophenyl)-3-methyl-5-pyrazolone Basic Attributes

Molecular Weight：

254.26

Exact Mass：

254.26

EC Number：

204-303-0

NSC Number：

50668|15354

DSSTox ID：

DTXSID0044785

HScode：

2933199090

Characteristics

PSA：

95.42000

XLogP3：

1.62730

Density：

1.53±0.1 g/cm3(Predicted)

Melting Point：

335 °C(lit.)

Refractive Index：

1.633

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R43

safety instructions：

36/37

Marks：

Precautionary statement(s)：

P280

Hazard Statements：

H317

GHS Classification：

|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 171 companies from 2 notifications to the ECHA C&L Inventory.

1-(3′-Sulfophenyl)-3-methyl-5-pyrazolone Use and Manufacturing

Manufacturing Info：

Benzenesulfonic acid, 3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-: ACTIVE

Computed Properties

Molecular Weight:254.26
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:254.03612798
Monoisotopic Mass:254.03612798
Topological Polar Surface Area:95.4
Heavy Atom Count:17
Complexity:451
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 1-(3′-Sulfophenyl)-3-methyl-5-pyrazolone

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1-(3-Sulfophenyl)-3-methyl-5-pyrazolone

CAS No.: 119-17-5

Content: 99.00%

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Guide of 1-(3′-Sulfophenyl)-3-methyl-5-pyrazolone

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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1-(3′-Sulfophenyl)-3-methyl-5-pyrazolone

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