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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:
1-(M-SULFOPHENYL)-3-METHYL-5-PYRAZOLONE;1-(3'-SULFOPHENYL)-3-METHYL-5-PYRAZOLONE;1-(3-SULFOPHENYL)-3-METHYL-5-PYRAZOLONE;3-PYRAZOLIC ACID;(4,5-dihydro-3-methyl-5-oxo-1h-pyrazol-1-yl)benzenesulphonic acid;3-Methyl-1-(3-sulfophenyl)-2-pyrazolin-5-one;3-(5-keto-3-methyl-4H-pyrazol-1-yl)benzenesulfonic acid;Benzenesulfonic acid, 3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
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

TSCA：

TSCA listed

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

Vapor Pressure：

0.001Pa at 20℃

PKA：

-0.73±0.30(Predicted)

Critical Temperature & Pressure：

2-8°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

safety instructions：

36/37

Marks：

Precautionary statement(s)：

P280

Hazard Statements：

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

Uses

1-(3-Sulfophenyl)-3-methyl-5-pyrazolone [1-(3′-sulfophenyl)-3-methyl-5-pyrazolone] may be used to synthesize α-Pigment Yellow 191.

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

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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
Learn More Other Chemicals

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

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