2-Hydroxymethyl-1,4-benzodioxan - CAS 3663-82-9

Name: 2-Hydroxymethyl-1,4-benzodioxan
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB023026
Product Name:	2-Hydroxymethyl-1,4-benzodioxan
CAS:	3663-82-9
Synonyms:	2,3-dihydro-1,4-benzodioxin-3-ylmethanol

Technical Data

IUPAC Name:	2,3-dihydro-1,4-benzodioxin-3-ylmethanol
Description:	2-Hydroxymethyl-1,4-benzodioxan (CAS# 3663-82-9) is a substituted benzodioxane with antihepatotoxic activity. 2-Hydroxymethyl-1,4-benzodioxane is used as an intermediate in the preparation of Guanoxan (G839500).
Molecular Weight:	166.17
Molecular Formula:	C9H10O3
Canonical SMILES:	C1C(OC2=CC=CC=C2O1)CO
InChI:	InChI=1S/C9H10O3/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7,10H,5-6H2
InChI Key:	GWQOQQVKVOOHTI-UHFFFAOYSA-N
Boiling Point:	286 °C
Melting Point:	85-90 °C
Purity:	95 %
Density:	1.213 g/cm³
Appearance:	White to light yellow crystalline powder
MDL:	MFCD00006822
LogP:	0.81870

GHS Hazard Statement:	H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021123394-A1	G protein-coupled receptor modulators and a pharmaceutical composition	20191220
CN-110724140-A	Dihydroquinozinone carboxylic acid compound and application thereof	20191104
CN-110724140-B	Dihydroquinozinone carboxylic acid compound and application thereof	20191104
CN-112079830-A	Fused ring-containing derivative inhibitor, preparation method and application thereof	20190614
CN-109824646-A	A kind of method of the pure 2- methylol -1,4- benzodioxane of synthesizing optical and its derivative	20190329

Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.062994177
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	166.062994177
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.7 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1