trans-3,4-Difluorocinnamic acid - CAS 112897-97-9

Catalog:	BB003070
Product Name:	trans-3,4-Difluorocinnamic acid
CAS:	112897-97-9
Synonyms:	(E)-3-(3,4-difluorophenyl)prop-2-enoic acid

trans-3,4-Difluorocinnamic acid

Technical Data

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Computed Properties

IUPAC Name:	(E)-3-(3,4-difluorophenyl)prop-2-enoic acid
Description:	trans-3,4-Difluorocinnamic acid (CAS# 112897-97-9) is a starting material in the preparation of Ticagrelor (T437700), which is the first reversible oral P2Y12 receptor antagonist, provides faster, greater, and more consistent ADP-receptor inhibition than Clopidogrel.
Molecular Weight:	184.14
Molecular Formula:	C9H6F2O2
Canonical SMILES:	C1=CC(=C(C=C1C=CC(=O)O)F)F
InChI:	InChI=1S/C9H6F2O2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+
InChI Key:	HXBOHZQZTWAEHJ-DUXPYHPUSA-N
Boiling Point:	278.5 ℃ at 760 mmHg
Melting Point:	193-198 ℃
Purity:	95 %
Density:	1.379 g/cm³
Appearance:	White crystal
Storage:	Sealed in dry, 2-8 ℃
MDL:	MFCD00010320
LogP:	2.06260

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