2,2-Difluoro-4-(hydroxymethyl)-1,3-benzodioxole - CAS 157437-25-7

Name: 2,2-Difluoro-4-(hydroxymethyl)-1,3-benzodioxole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB011321
Product Name:	2,2-Difluoro-4-(hydroxymethyl)-1,3-benzodioxole
CAS:	157437-25-7
Synonyms:	(2,2-difluoro-1,3-benzodioxol-4-yl)methanol; (2,2-difluoro-1,3-benzodioxol-4-yl)methanol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(2,2-difluoro-1,3-benzodioxol-4-yl)methanol
Description:	2,2-Difluoro-4-(hydroxymethyl)-1,3-benzodioxole (CAS# 157437-25-7) is a useful research chemical.
Molecular Weight:	188.13
Molecular Formula:	C8H6F2O3
Canonical SMILES:	C1=CC(=C2C(=C1)OC(O2)(F)F)CO
InChI:	InChI=1S/C8H6F2O3/c9-8(10)12-6-3-1-2-5(4-11)7(6)13-8/h1-3,11H,4H2
InChI Key:	VHULACBMFYTQMM-UHFFFAOYSA-N
LogP:	1.50040

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
EP-3191485-A1	Triazolopyridine and triazolopyrimidine inhibitors of myeloperoxidase	20140911
US-2017247396-A1	Triazolopyridine and triazolopyrimidine inhibitors of myeloperoxidase	20140911
US-9920075-B2	Triazolopyridine and triazolopyrimidine inhibitors of myeloperoxidase	20140911
WO-2016040417-A1	Triazolopyridine and triazolopyrimidine inhibitors of myeloperoxidase	20140911
US-2010048699-A1	Chemical compounds	20060721

Complexity:	198
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.02850037
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	188.02850037
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6