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3H-Pyrazol-3-one, 4-amino-1,2-dihydro-1,5-dimethyl-2-phenyl-, hydrochloride (1:1)

3H-Pyrazol-3-one, 4-amino-1,2-dihydro-1,5-dimethyl-2-phenyl-, hydrochloride (1:1) structure

CAS No:
22198-72-7
Formula:
C11H13N3O.ClH
Chemical Name:
3H-Pyrazol-3-one, 4-amino-1,2-dihydro-1,5-dimethyl-2-phenyl-, hydrochloride (1:1)
Synonyms:
3H-Pyrazol-3-one,4-amino-1,2-dihydro-1,5-dimethyl-2-phenyl-,hydrochloride (1:1);Antipyrine,4-amino-,monohydrochloride;3H-Pyrazol-3-one,4-amino-1,2-dihydro-1,5-dimethyl-2-phenyl-,monohydrochloride;4-Aminoantipyrine hydrochloride

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Description

faint yellow to orange crystalline powder

3H-Pyrazol-3-one, 4-amino-1,2-dihydro-1,5-dimethyl-2-phenyl-, hydrochloride (1:1) Basic Attributes

Molecular Weight：

239.7

Exact Mass：

239.082535

EC Number：

244-832-4

UNII：

F7WGH82I6D

NSC Number：

1740

DSSTox ID：

DTXSID8066769

HScode：

2933199090

Characteristics

PSA：

49.6

XLogP3：

2.44980

Melting Point：

201 °C

Boiling Point：

309ºC at 760 mmHg

Flash Point：

140.7ºC

Water Solubility：

H2O: almost transparency

Safety Information

hazard class code：

36/37/38-22

safety instructions：

36/37/39-26

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3H-Pyrazol-3-one, 4-amino-1,2-dihydro-1,5-dimethyl-2-phenyl-, hydrochloride (1:1) Use and Manufacturing

Manufacturing Info：

3H-Pyrazol-3-one, 4-amino-1,2-dihydro-1,5-dimethyl-2-phenyl-, hydrochloride (1:1): ACTIVE

Computed Properties

Molecular Weight:239.70
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:239.0825398
Monoisotopic Mass:239.0825398
Topological Polar Surface Area:49.6
Heavy Atom Count:16
Complexity:305
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 3H-Pyrazol-3-one, 4-amino-1,2-dihydro-1,5-dimethyl-2-phenyl-, hydrochloride (1:1)

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

3H-Pyrazol-3-one, 4-amino-1,2-dihydro-1,5-dimethyl-2-phenyl-, hydrochloride (1:1)

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