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

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

CAS No:
54711-21-6
Formula:
C6H5N5
Chemical Name:
5-Amino-4-cyano-1H-pyrazole-3-acetonitrile
Synonyms:
1H-Pyrazole-3-acetonitrile,5-amino-4-cyano-;Pyrazole-3-acetonitrile,5-amino-4-cyano-;5-Amino-4-cyano-1H-pyrazole-3-acetonitrile;5-Amino-4-cyano-3-(cyanomethyl)pyrazole;3-Amino-4-cyano-5-cyanomethylpyrazole;NSC 22478;5-Amino-3-cyanomethyl-1H-pyrazole-4-carbonitrile;3-Cyanomethyl-4-cyano-5-amino-1H-pyrazole;3-Amino-5-(cyanomethyl)-1H-pyrazole-4-carbonitrile;142086-47-3;57695-77-9;74721-23-6;75507-63-0;78710-11-9;380432-39-3;591233-88-4;145317-02-8;148725-97-7;167018-33-9;169120-59-6;174891-09-9;879440-22-9

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

Molecular Weight：

147.14

Exact Mass：

147.14

EC Number：

259-299-3

UNII：

BGX2I4IB38

NSC Number：

22478

DSSTox ID：

DTXSID50203180

HScode：

2933199090

Characteristics

PSA：

102

XLogP3：

-0.2

Density：

1.43 g/cm3

Melting Point：

197-198 °C @ Solvent: Water

Boiling Point：

520.9°C at 760 mmHg

Flash Point：

268.8ºC

Refractive Index：

1.617

Safety Information

Packing level：

Ⅱ

Hazard category：

IRRITANT

Transport codes：

3276

hazard class code：

23/24/25

safety instructions：

26-36

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:147.14
XLogP3:-0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:147.05449518
Monoisotopic Mass:147.05449518
Topological Polar Surface Area:102
Heavy Atom Count:11
Complexity:230
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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5-Amino-4-cyano-3-(cyanomethyl)pyrazole

CAS No.: 54711-21-6

Content: 99.00%

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

Basic Attributes
Characteristics
Safety Information
Computed Properties
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5-Amino-4-cyano-1H-pyrazole-3-acetonitrile

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