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Home Other Building Blocks 2-Bromo-4-methylaniline

2-Bromo-4-methylaniline

CAS No.:
583-68-6
Catalog Number:
AG003GOK
Molecular Formula:
C7H8BrN
Molecular Weight:
186.0491
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
96%
In Stock USA
United States
$13
- +
25g
96%
In Stock USA
United States
$25
- +
100g
96%
In Stock USA
United States
$63
- +
500g
96%
In Stock USA
United States
$250
- +
Product Description
Catalog Number:
AG003GOK
Chemical Name:
2-Bromo-4-methylaniline
CAS Number:
583-68-6
Molecular Formula:
C7H8BrN
Molecular Weight:
186.0491
MDL Number:
MFCD00007635
IUPAC Name:
2-bromo-4-methylaniline
InChI:
InChI=1S/C7H8BrN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
InChI Key:
UVRRJILIXQAAFK-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)Br)N
EC Number:
209-515-7
NSC Number:
7092
Properties
Complexity:
94.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.984g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.052g/mol
Monoisotopic Mass:
184.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
FTIR and FTRaman spectroscopic investigation of 2-bromo-4-methylaniline using ab initio HF and DFT calculations. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20100601
FTIR, FT-Raman spectra and ab initio DFT vibrational analysis of 2-bromo-4-methyl-phenylamine. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20051101
Properties