2-Bromo-4,6-difluoroaniline - CAS 444-14-4

Name: 2-Bromo-4,6-difluoroaniline
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB025604
Product Name:	2-Bromo-4,6-difluoroaniline
CAS:	444-14-4
Synonyms:	Benzenamine, 2-bromo-4,6-difluoro-; 2-Bromo-4,6-difluorobenzenamine; Aniline, 2-bromo-4,6-difluoro-; 2,4-Difluoro-6-bromoaniline; 2-Bromo-4,6-difluorophenylamine; 6-Bromo-2,4-difluoroaniline; NSC 93389

Technical Data

IUPAC Name:	2-bromo-4,6-difluoroaniline
Molecular Weight:	208.00
Molecular Formula:	C6H4BrF2N
Canonical SMILES:	C1=C(C=C(C(=C1F)N)Br)F
InChI:	InChI=1S/C6H4BrF2N/c7-4-1-3(8)2-5(9)6(4)10/h1-2H,10H2
InChI Key:	WUJKFVGKLTWVSQ-UHFFFAOYSA-N
Boiling Point:	208.0±35.0°C at 760 mmHg
Melting Point:	41-42°C
Purity:	≥95%
Density:	1.788±0.06 g/cm3
Solubility:	Insoluble in Water
Appearance:	White to Green to Brown Powder to Crystal
Storage:	Store at RT under inert atmosphere
MDL:	MFCD00009639
LogP:	2.89070

GHS Hazard Statement:	H302: Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P301+P312, P330, P391, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021144439-A1	Quinoxaline derivatives	20200117
WO-2021144440-A1	Quinoxaline derivatives as modulators of the glucocorticoid receptor	20200117
WO-2020016453-A1	Substituted triazolo quinoxaline derivatives	20180720
CN-112673009-A	Substituted triazoloquinoxaline derivatives	20180720
EP-3823971-A1	Substituted triazolo quinoxaline derivatives	20180720

Complexity:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.94952
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	206.94952
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1