2,4-Difluorobenzyl Alcohol - CAS 56456-47-4

Catalog:	BB029367
Product Name:	2,4-Difluorobenzyl Alcohol
CAS:	56456-47-4
Synonyms:	(2,4-difluorophenyl)methanol; (2,4-difluorophenyl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(2,4-difluorophenyl)methanol
Description:	2,4-Difluorobenzyl Alcohol (CAS# 56456-47-4) is a useful research chemical.
Molecular Weight:	144.12
Molecular Formula:	C7H6F2O
Canonical SMILES:	C1=CC(=C(C=C1F)F)CO
InChI:	InChI=1S/C7H6F2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2
InChI Key:	NIJZBWHOHNWJBX-UHFFFAOYSA-N
Boiling Point:	194.3 °C at 760 mmHg
Density:	1.29 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD00009983
LogP:	1.45710

Publication Number	Title	Priority Date
CN-111303179-A	Synthesis of norcantharidin carboxylic acid difluoro benzyl ester and anti-tumor application thereof	20200317
WO-2021108549-A1	Novel thyromimetics	20191129
WO-2021018023-A1	Small molecule glp-1 receptor modulator	20190801
WO-2020245136-A1	Purine derivatives, as nr2b negative modulators and the use thereof as medicament, in particular for treating depressive disorders	20190604
WO-2020245137-A1	Imidazopyrazine derivatives and the use thereof as medicament	20190604

PMID	Publication Date	Title	Journal
21764184	20110901	Novel aryloxy azolyl chalcones with potent activity against Mycobacterium tuberculosis H37Rv	European journal of medicinal chemistry
19239212	20090319	Reactions within p-difluorobenzene/methanol heterocluster ions: a detailed experimental and theoretical investigation	The journal of physical chemistry. A
15023053	20040323	Participation of histidine-51 in catalysis by horse liver alcohol dehydrogenase	Biochemistry

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	108
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	144.03867113
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	144.03867113
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4