Benzenemethanamine, 4-chloro-3-(trifluoromethyl)-


Chemical Name: Benzenemethanamine, 4-chloro-3-(trifluoromethyl)-
CAS Number: 62039-92-3
Product Number: AG003L4G(AGN-PC-0JRTAO)
Synonyms:
MDL No: MFCD00190124
Molecular Formula: C8H7ClF3N
Molecular Weight: 209.5961

Identification/Properties


Properties
BP:
100-104°C at 12 mmHg
Storage:
Keep in dry area;Room Temperature;
Stability:
Air Sensitive
Refractive Index:
n 20/D 1.495
Computed Properties
Molecular Weight:
209.596g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
209.022g/mol
Monoisotopic Mass:
209.022g/mol
Topological Polar Surface Area:
26A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
171
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2810
Hazard Statements:
H301-H315-H317-H319
Precautionary Statements:
P280-P301+P310-P305+P351+P338
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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Chemical Structure



The chemical structure of Benzenemethanamine, 4-chloro-3-(trifluoromethyl)- (C8H7ClF3N) is as follows: ``` H | H-N-C-C-F3C | | | H-C-C-Cl | | H-C | H ``` This structure represents benzenemethanamine with a chlorine atom at the 4-position and a trifluoromethyl group at the 3-position.