2,4-Dimethoxybenzyl alcohol - CAS 7314-44-5

Catalog:	BB034783
Product Name:	2,4-Dimethoxybenzyl alcohol
CAS:	7314-44-5
Synonyms:	(2,4-dimethoxyphenyl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(2,4-dimethoxyphenyl)methanol
Description:	2,4-Dimethoxybenzyl alcohol (CAS# 7314-44-5) is a useful research chemical.
Molecular Weight:	168.19
Molecular Formula:	C9H12O3
Canonical SMILES:	COC1=CC(=C(C=C1)CO)OC
InChI:	InChI=1S/C9H12O3/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-5,10H,6H2,1-2H3
InChI Key:	RNKOUSCCPHSCFE-UHFFFAOYSA-N
Boiling Point:	177-179 ℃ (10 mmHg)
Melting Point:	37-40 ℃
Purity:	95 %
Density:	1.111 g/cm³
Appearance:	Colorless to light yellow liqui
Storage:	Refrigerator
MDL:	MFCD00004614
LogP:	1.19610

Publication Number	Title	Priority Date
WO-2021190581-A1	Pharmaceutical composition comprising antibody drug conjugate and use thereof	20200325
WO-2021190602-A1	Preparation method for antibody medicament conjugate	20200325
US-2021268115-A1	Lipid prodrugs of neurosteroids	20200205
WO-2021159021-A1	Lipid prodrugs of neurosteroids	20200205
WO-2021123237-A1	2-amino-n-(amino-oxo-aryl-lambda6-sulfanylidene)acetamide compounds and their therapeutic use	20191219

PMID	Publication Date	Title	Journal
20666371	20100826	Aryl phosphoramidates of 5-phospho erythronohydroxamic acid, a new class of potent trypanocidal compounds	Journal of medicinal chemistry
17615587	20070801	Synthesis and biological evaluation of phosphate prodrugs of 4-phospho-D-erythronohydroxamic acid, an inhibitor of 6-phosphogluconate dehydrogenase	ChemMedChem
16311812	20050101	Fluorous reagents and scavengers versus solid-supported reagents and scavengers, a reaction rate and kinetic comparison	Molecular diversity

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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:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.078644241
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	168.078644241
Rotatable Bond Count:	3
Topological Polar Surface Area:	38.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5