Home Other Building Blocks 4-Bromo-1,2-dimethylbenzene

4-Bromo-1,2-dimethylbenzene

CAS No.:
583-71-1
Catalog Number:
AG0037LK
Molecular Formula:
C8H9Br
Molecular Weight:
185.0611
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$13
- +
5g
97%
In Stock USA
United States
$19
- +
25g
97%
In Stock USA
United States
$38
- +
100g
97%
In Stock USA
United States
$113
- +
250g
70%remainder3-bromo-o-xylene
In Stock USA
United States
$276
- +
500g
97%
In Stock USA
United States
$475
- +
Product Description
Catalog Number:
AG0037LK
Chemical Name:
4-Bromo-1,2-dimethylbenzene
CAS Number:
583-71-1
Molecular Formula:
C8H9Br
Molecular Weight:
185.0611
MDL Number:
MFCD00000086
IUPAC Name:
4-bromo-1,2-dimethylbenzene
InChI:
InChI=1S/C8H9Br/c1-6-3-4-8(9)5-7(6)2/h3-5H,1-2H3
InChI Key:
QOGHRLGTXVMRLM-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)C)C
EC Number:
209-518-3
NSC Number:
60147
Properties
Complexity:
90.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.989g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.064g/mol
Monoisotopic Mass:
183.989g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Literature
Title Journal
Vibrational spectroscopic studies and DFT calculations of 4-bromo-o-xylene. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120601
Properties