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Home Nitriles 4-Bromobenzonitrile

4-Bromobenzonitrile

CAS No.:
623-00-7
Catalog Number:
AG0033Y7
Molecular Formula:
C7H4BrN
Molecular Weight:
182.0174
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
97%
In Stock USA
United States
$13
- +
25g
97%
In Stock USA
United States
$19
- +
100g
97%
In Stock USA
United States
$50
- +
500g
97%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG0033Y7
Chemical Name:
4-Bromobenzonitrile
CAS Number:
623-00-7
Molecular Formula:
C7H4BrN
Molecular Weight:
182.0174
MDL Number:
MFCD00001811
IUPAC Name:
4-bromobenzonitrile
InChI:
InChI=1S/C7H4BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H
InChI Key:
HQSCPPCMBMFJJN-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)Br
EC Number:
210-764-9
NSC Number:
3978
Properties
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.953g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.02g/mol
Monoisotopic Mass:
180.953g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
3',4'-Dimeth-oxy-biphenyl-4-carbonitrile. Acta crystallographica. Section E, Structure reports online 20120401
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Fluorogenic derivatization of aryl halides based on the formation of biphenyl by Suzuki coupling reaction with phenylboronic acid. Journal of chromatography. A 20091002
4-Bromo-thio-benzamide. Acta crystallographica. Section E, Structure reports online 20090601
Scaled quantum chemical studies on the vibrational spectra of 4-bromo benzonitrile. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20090101
1,2-Bis[5-(4-cyano-phen-yl)-2-methyl-3-thien-yl]-3,3,4,4,5,5-hexa-fluoro-cyclo-pent-1-ene: a photochromic diaryl-ethene compound. Acta crystallographica. Section E, Structure reports online 20080501
Pd-catalyzed intermolecular amidation of aryl halides: the discovery that xantphos can be trans-chelating in a palladium complex. Journal of the American Chemical Society 20020529
Properties