Voriconazole EP Impurity A - CAS 86404-63-9

Name: Voriconazole EP Impurity A
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB037915
Product Name:	Voriconazole EP Impurity A
CAS:	86404-63-9
Synonyms:	1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone; 2,4-Difluoro-α-(1H-1,2,4-triazolyl)acetophenone; 2',4'-Difluoro-2-(1H-1,2,4-triazol-1-yl)acetophenone; USP Voriconazole Related Compound C; Voriconazole USP Related Compound C; Voriconazole Related Compound C; Ethanone, 1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)-; 2-(1H-1,2,4-Triazol-1-yl)-2',4'-difluoroacetophenone; 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one; 1-(2,4-Difluorophenacyl)-1H-1,2,4-triazole; 2',4'-Difluoro-2-(1H-1,2,4-Triazolyl) acetophenone

Technical Data

Related CAS:	86386-75-6 (monohydrochloride)
IUPAC Name:	1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone
Description:	Voriconazole EP Impurity A is an impurity of Voriconazole, which is an antifungal medication used to treat a number of fungal infections.
Molecular Weight:	223.18
Molecular Formula:	C10H7F2N3O
Canonical SMILES:	C1=CC(=C(C=C1F)F)C(=O)CN2C=NC=N2
InChI:	InChI=1S/C10H7F2N3O/c11-7-1-2-8(9(12)3-7)10(16)4-15-6-13-5-14-15/h1-3,5-6H,4H2
InChI Key:	XCHRPVARHBCFMJ-UHFFFAOYSA-N
Boiling Point:	388.0±52.0°C at 760 mmHg
Melting Point:	103-107°C
Purity:	≥95%
Density:	1.39±0.1 g/cm3 (Predicted)
Solubility:	Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance:	White to Pale Beige Solid
Storage:	Store at -20°C
MDL:	MFCD02093825
LogP:	1.43920

GHS Hazard Statement:	H317 (93.55%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-110724130-A	Synthetic method of voriconazole and intermediate thereof	20191129
WO-2019208614-A1	Resin composition, laminate, resin composition layer-attached semiconductor wafer, substrate for mounting resin composition layer-attached semiconductor, and semiconductor device	20180426
CN-112004845-A	Resin composition, laminate, semiconductor wafer with resin composition layer, substrate for mounting semiconductor with resin composition layer, and semiconductor device	20180426
EP-3786200-A1	Resin composition, laminate, resin composition layer-attached semiconductor wafer, substrate for mounting resin composition layer-attached semiconductor, and semiconductor device	20180426
KR-20210004971-A	Resin composition, laminate, semiconductor wafer with resin composition layer, semiconductor mounting substrate with resin composition layer, and semiconductor device	20180426

PMID	Publication Date	Title	Journal
22884108	20120901	Design, synthesis and evaluation of clinafloxacin triazole hybrids as a new type of antibacterial and antifungal agents	Bioorganic & medicinal chemistry letters
22606137	20120401	(Z)-1-(2,4-Difluoro-phen-yl)-3-(4-fluoro-phen-yl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one	Acta crystallographica. Section E, Structure reports online
22199943	20111201	(Z)-1-(2,4-Difluoro-phen-yl)-2-(1H-1,2,4-triazol-1-yl)ethanone oxime	Acta crystallographica. Section E, Structure reports online

Complexity:	264
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.05571818
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	223.05571818
Rotatable Bond Count:	3
Topological Polar Surface Area:	47.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7