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5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile

5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile structure

CAS No:
7152-40-1
Formula:
C12H9N5
Chemical Name:
5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile
Synonyms:
1H-Pyrazole-3-acetonitrile,5-amino-4-cyano-1-phenyl-;Pyrazole-3-acetonitrile,5-amino-4-cyano-1-phenyl-;5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile;5-Amino-4-cyano-3-cyanomethyl-1-phenylpyrazole;NSC 22494

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5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile Basic Attributes

Molecular Weight：

223.23

Exact Mass：

223.23

BRN：

217441

EC Number：

230-496-6

UNII：

2C59BX2079

NSC Number：

22494

DSSTox ID：

DTXSID60221759

HScode：

2933199090

Characteristics

PSA：

91.4

XLogP3：

1.97346

Density：

1.27g/cm3

Melting Point：

166-167 °C @ Solvent: Ethanol

Boiling Point：

486.8ºC at 760 mmHg

Flash Point：

248.2ºC

Refractive Index：

1.673

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

hazard class code：

22-23/24/25

safety instructions：

22-36/37-45-36/37/39-28-27

RTECS Number：

UQ6260000

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (90.48%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:223.23
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:223.08579531
Monoisotopic Mass:223.08579531
Topological Polar Surface Area:91.4
Heavy Atom Count:17
Complexity:356
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile

SDS

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