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Home Other Building Blocks 1-Benzylpyrazole

1-Benzylpyrazole

CAS No.:
10199-67-4
Catalog Number:
AG00066U
Molecular Formula:
C10H10N2
Molecular Weight:
158.1998
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$87
- +
5g
98%
In Stock USA
United States
$235
- +
10g
98%
In Stock USA
United States
$400
- +
25g
98%
In Stock USA
United States
$800
- +
Product Description
Catalog Number:
AG00066U
Chemical Name:
1-Benzylpyrazole
CAS Number:
10199-67-4
Molecular Formula:
C10H10N2
Molecular Weight:
158.1998
MDL Number:
MFCD00462231
IUPAC Name:
1-benzylpyrazole
InChI:
InChI=1S/C10H10N2/c1-2-5-10(6-3-1)9-12-8-4-7-11-12/h1-8H,9H2
InChI Key:
AKQAJYLKBCWJBV-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Cn1cccn1
Properties
Complexity:
130  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.084g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.204g/mol
Monoisotopic Mass:
158.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
A second monoclinic polymorph of {bis-[5-methyl-3-(trifluoro-meth-yl)pyrazol-1-yl]borato}{tris-[5-methyl-3-(trifluoro-meth-yl)pyrazol-1-yl]borato}cobalt(II): a structure containing a B-H⋯Co agostic inter-action. Acta crystallographica. Section E, Structure reports online 20110701
{Bis[5-methyl-3-(trifluoro-meth-yl)pyrazol-1-yl]borato}{tris-[5-methyl-3-(trifluoro-meth-yl)pyrazol-1-yl]borato}cobalt(II): a structure containing a B-H⋯Co agostic inter-action. Acta crystallographica. Section E, Structure reports online 20100501
Synthesis, nematicidal and antimicrobial properties of Bis-[4-methoxy-3-[3-(4-fluorophenyl)-6-(4-methylphenyl)-2(aryl)-tetrahydro-2H-pyrazolo[3,4-d]thiazol-5-yl]phenyl]methanes. Chemical & pharmaceutical bulletin 20090701
Phosphorescent iridium(III) complexes with nonconjugated cyclometalated ligands. Chemistry (Weinheim an der Bergstrasse, Germany) 20080101
Properties