Benzoic acid, 2-amino-5-bromo-


Chemical Name: Benzoic acid, 2-amino-5-bromo-
CAS Number: 5794-88-7
Product Number: AG00333K(AGN-PC-0JLSAO)
Synonyms:
MDL No:
Molecular Formula: C7H6BrNO2
Molecular Weight: 216.0320

Identification/Properties


Properties
MP:
213-215 °C(lit.)
BP:
342.4°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Stability:
Light Sensitive
Refractive Index:
1.6120 (estimate)
Solubility:
Soluble in methanol and dimethyl sulfoxide.
Computed Properties
Molecular Weight:
216.034g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
214.958g/mol
Monoisotopic Mass:
214.958g/mol
Topological Polar Surface Area:
63.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
163
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:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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