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1-Phenyl-3-carbethoxy-5-pyrazolone

1-Phenyl-3-carbethoxy-5-pyrazolone structure

CAS No:
89-33-8
Formula:
C12H12N2O3
Chemical Name:
1-Phenyl-3-carbethoxy-5-pyrazolone
Synonyms:
1H-Pyrazole-3-carboxylic acid,4,5-dihydro-5-oxo-1-phenyl-,ethyl ester;2-Pyrazoline-3-carboxylic acid,5-oxo-1-phenyl-,ethyl ester;Ethyl-1-phenyl-5-pyrazolone-3-carboxylate;1-Phenyl-3-ethoxycarbonyle-5-pyrazolone;Ethyl 5-oxo-1-phenyl-2-pyrazoline-3-carboxylate;1-Phenyl-3-carbethoxy-5-pyrazolone;1-Phenyl-3-carbethoxypyrazolone;3-Carbethoxy-1-phenyl-5-pyrazolone;Ethyl 4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylate;3-(Ethoxycarbonyl)-1-phenyl-5-pyrazolone;NSC 49150;NSC 57876;Ethyl 1-phenyl-2-pyrazolin-5-one-3-carboxylate;3-Carboxyethyl-1-phenylpyrazolone;2,4-Dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

light yellow crystalline powder

1-Phenyl-3-carbethoxy-5-pyrazolone Basic Attributes

Molecular Weight：

232.24

Exact Mass：

232.24

EC Number：

201-899-4

NSC Number：

57876|49150

DSSTox ID：

DTXSID5044738

HScode：

2933199090

Characteristics

PSA：

XLogP3：

1.6

Appearance：

yellow to brown crystalline powder

Density：

1.3±0.1 g/cm3

Melting Point：

181.5-182.5 °C

Boiling Point：

335.3°C at 760 mmHg

Flash Point：

156.6±23.2 °C

Refractive Index：

1.595

Water Solubility：

32.1 [ug/mL]

Safety Information

Transport codes：

UN2811 6.1/PG 2

Precautionary statement(s)：

P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (55.56%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501|Aggregated GHS information provided by 74 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-Phenyl-3-carbethoxy-5-pyrazolone Use and Manufacturing

Uses

Coupling components for the synthesis of CI Pigment Red 38, 39, 42

Manufacturing Info：

1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-phenyl-, ethyl ester: ACTIVE

Computed Properties

Molecular Weight:232.23
XLogP3:1.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:232.08479225
Monoisotopic Mass:232.08479225
Topological Polar Surface Area:59
Heavy Atom Count:17
Complexity:346
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Phenyl-3-carbethoxy-5-pyrazolone

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Latest News
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1-Phenyl-3-carbethoxy-5-pyrazolone

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