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3-Aminopyrazole

3-Aminopyrazole structure

CAS No:
1820-80-0
Formula:
C3H5N3
Chemical Name:
3-Aminopyrazole
Synonyms:
3-PYRAZOLAMINE;3-AMINO-1H-PYRAZOLE;3-AMINOPYRAZOLE;AKOS B007331;3-Aminopyarazole;pyrazol-3-ylamine;3-AMINOPYROZOLE;3-AMINOPYRAZOL
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Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

3-Aminopyrazole is Low-Melting Yellow Solid

3-Aminopyrazole is a heteroarylamine.

3-Aminopyrazole Basic Attributes

Molecular Weight：

83.09

Exact Mass：

83.09

BRN：

1618

EC Number：

217-338-1

NSC Number：

76122

DSSTox ID：

DTXSID00171229

Color/Form：

White to light yellow

HScode：

29331990

Characteristics

PSA：

54.7

XLogP3：

-0.1

Appearance：

White to light yellow Oily Liquid or Crystalline Low Melting Solid

Density：

1.0248 (rough estimate)

Melting Point：

34-37 °C (lit.)

Boiling Point：

218 °C/122 mmHg (lit.)

Flash Point：

>230 °F

Refractive Index：

1.5060 (estimate)

Storage Conditions：

2-8°C

Vapor Pressure：

0.002mmHg at 25°C

PKA：

15.28±0.10(Predicted)

Critical Temperature & Pressure：

Keep in dark place,Inert atmosphere,2-8°C

Safety Information

Packing level：

Ⅱ

Hazard category：

Transport codes：

UN 3263 8/PG 2

wgk germany：

hazard class code：

C,Xi

safety instructions：

26-36/37/39-45-27

Marks：

C,Xi

Hazard note：

Corrosive

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

22-34-36/37/38

RIDADR：

UN 3263 8/PG 2

GHS Classification：

|Danger|H302 (93.75%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P272, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P333+P313, P363, P405, and P501|Aggregated GHS information provided by 50 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|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, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

3-aminopyrazole

3-Aminopyrazole Use and Manufacturing

Used in the preparation of heterocyclic compounds of pharamaceutical interest

Employed in a one-pot synthesis of pyrazolopyrimidines.1

3-Aminopyrazole was used in the spectroscopic characterization of ferrocenoyl peptides via1H-NMR spectroscopy. It was also used in the synthesis of:symmetrical dialkylpyrazolo[1,5-a]pyrimidines via condensation with symmetrical β-diketones3,4-annelated coumarinsheterocyclic compounds of pharmaceutical interestpyrazolopyrimidines

Computed Properties

Molecular Weight:83.09
XLogP3:-0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:83.048347172
Monoisotopic Mass:83.048347172
Topological Polar Surface Area:54.7
Heavy Atom Count:6
Complexity:45.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Aminopyrazole

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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3-Aminopyrazole

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