1H-pyrazol-1-ylacetonitrile

Base Information

Chemical Name:1H-pyrazol-1-ylacetonitrile
CAS No.:113336-22-4
Molecular Formula:C5H5N3
Molecular Weight:107.11300
Hs Code.:2933199090
European Community (EC) Number:819-510-7
DSSTox Substance ID:DTXSID70426910
Nikkaji Number:J2.260.305A
Wikidata:Q82239706
Mol file:113336-22-4.mol

Synonyms:1H-pyrazol-1-ylacetonitrile;113336-22-4;2-(1H-pyrazol-1-yl)acetonitrile;1H-Pyrazole-1-acetonitrile;2-pyrazol-1-ylacetonitrile;Pyrazol-1-yl-acetonitrile;SCHEMBL1904553;DTXSID70426910;KQULXIRGBBDZKY-UHFFFAOYSA-N;MFCD04971123;STK313364;AKOS000189908;CS-0179152;FT-0704141;EN300-48681;J-002949;F8889-2668;Z295205174

Suppliers and Price of 1H-pyrazol-1-ylacetonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
1H-Pyrazol-1-ylacetonitrile
100mg
$ 60.00

SynQuest Laboratories
1H-Pyrazol-1-ylacetonitrile 95%
250 mg
$ 280.00

SynQuest Laboratories
1H-Pyrazol-1-ylacetonitrile 95%
1 g
$ 552.00

Matrix Scientific
1H-Pyrazol-1-ylacetonitrile
500mg
$ 315.00

Crysdot
2-(1H-Pyrazol-1-yl)acetonitrile 95+%
5g
$ 817.00

CHESS?
NI020437:Pyrazol-1-yl-acetonitrile 95
1 g
$ 144.00

Chemenu
1H-pyrazol-1-ylacetonitrile 95%
5g
$ 772.00

Apolloscientific
1H-Pyrazol-1-ylacetonitrile 95%
1g
$ 345.00

Apolloscientific
1H-Pyrazol-1-ylacetonitrile 95%
250mg
$ 175.00

Alichem
2-(1H-Pyrazol-1-yl)acetonitrile
1g
$ 400.00

Total 15 raw suppliers

Chemical Property of 1H-pyrazol-1-ylacetonitrile

Chemical Property:

Vapor Pressure:0.0328mmHg at 25°C
Boiling Point:243.1oC at 760 mmHg
Flash Point:100.8oC
PSA：41.61000
Density:1.11g/cm3
LogP:0.40668
XLogP3:-0.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:107.048347172
Heavy Atom Count:8
Complexity:112

Purity/Quality:

98%min ^*data from raw suppliers

1H-Pyrazol-1-ylacetonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CN(N=C1)CC#N
General Description 1H-Pyrazol-1-ylacetonitrile is a versatile intermediate used in the solvent-free synthesis of azolyl-substituted pyrimidines, where it undergoes base-catalyzed trimerization under pressure to form 4-amino-2,6-bis(pyrazol-1-ylmethyl)-5-(pyrazol-1-yl)pyrimidines. 1H-pyrazol-1-ylacetonitrile exhibits restricted rotation around the C-N bond in its derivatives, with the amino group adopting a distorted planar geometry and participating in hydrogen bonding to form ribbon-like structures in the crystal lattice.

Technology Process of 1H-pyrazol-1-ylacetonitrile

There total 2 articles about 1H-pyrazol-1-ylacetonitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 75.0%

: 288-13-1
NH-pyrazole

: 107-14-2
chloroacetonitrile

: 113336-22-4
2-(1H-pyrazol-1-yl)acetonitrile

Guidance literature:: With caesium carbonate; In acetonitrile; at 20 ℃; for 2h;

Reference yield: 69.0%

: 288-13-1
NH-pyrazole

: 590-17-0
cyanomethyl bromide

: 113336-22-4
2-(1H-pyrazol-1-yl)acetonitrile

Guidance literature:: NH-pyrazole; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 0.166667h;

cyanomethyl bromide; In N,N-dimethyl-formamide; at 0 - 20 ℃;