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Home Other Building Blocks 2-Chloro-4-methylaniline

2-Chloro-4-methylaniline

CAS No.:
615-65-6
Catalog Number:
AG003GXF
Molecular Formula:
C7H8ClN
Molecular Weight:
141.5981
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$38
- +
100g
98%
In Stock USA
United States
$113
- +
500g
98%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG003GXF
Chemical Name:
2-Chloro-4-methylaniline
CAS Number:
615-65-6
Molecular Formula:
C7H8ClN
Molecular Weight:
141.5981
MDL Number:
MFCD00007666
IUPAC Name:
2-chloro-4-methylaniline
InChI:
InChI=1S/C7H8ClN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
InChI Key:
XGYLSRFSXKAYCR-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)Cl)N
EC Number:
210-440-7
UNII:
K59ISJ2KO1
NSC Number:
60120
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:
141.035g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
141.598g/mol
Monoisotopic Mass:
141.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
N-(2-Chloro-4-methyl-phen-yl)succinamic acid. Acta crystallographica. Section E, Structure reports online 20120301
FT-IR, FT-Raman vibrational spectra and molecular structure investigation of 2-chloro-4-methylaniline: a combined experimental and theoretical study. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20090601
Fourier transform infrared and FT-Raman spectra, assignment, ab initio, DFT and normal co-ordinate analysis of 2-chloro-4-methylaniline and 2-chloro-6-methylaniline. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20090301
Subacute inhalation toxicity of 2-chloro-4-toluidine in rats. Inhalation toxicology 20061201
Properties