4-Amino-3,5-dibromo-a-(bromomethyl)benzenemethanol - CAS 945769-51-7

Catalog:	BB074764
Product Name:	4-Amino-3,5-dibromo-a-(bromomethyl)benzenemethanol
CAS:	945769-51-7
Synonyms:	1-(4-Amino-3,5-dibromophenyl)-2-bromoethanol; 1-(3,5-Dibromo-4-aminophenyl)-2-bromoethanol; 4-Amino-3,5-dibromo-alpha-(bromomethyl)benzenemethanol; 1-(4-Amino-3,5-dibromophenyl)-2-bromoethan-1-ol

Technical Data

IUPAC Name:	1-(4-amino-3,5-dibromophenyl)-2-bromoethanol
Description:	4-Amino-3,5-dibromo-a-(bromomethyl)benzenemethanol is an intermediate in the synthesis of Brombuterol (B678535), a b-agonist residue in foodstuffs sourced from animal meats.
Molecular Weight:	373.87
Molecular Formula:	C8H8Br3NO
Canonical SMILES:	C1=C(C=C(C(=C1Br)N)Br)C(CBr)O
InChI:	InChI=1S/C8H8Br3NO/c9-3-7(13)4-1-5(10)8(12)6(11)2-4/h1-2,7,13H,3,12H2
InChI Key:	YMOLPCNUEOPFFY-UHFFFAOYSA-N
Solubility:	Chloroform, DCM, Methanol
Appearance:	Brown Solid
References:	Nery, M., et al. Synthesis., 10, 1471 (2007).

Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	372.81355
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	370.8156
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.2Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5