(1-Phenyl-1H-1,2,3-triazol-4-yl)methanol - CAS 103755-58-4

Catalog:	BB001222
Product Name:	(1-Phenyl-1H-1,2,3-triazol-4-yl)methanol
CAS:	103755-58-4
Synonyms:	(1-phenyl-4-triazolyl)methanol; (1-phenyltriazol-4-yl)methanol

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Computed Properties

IUPAC Name:	(1-phenyltriazol-4-yl)methanol
Description:	(1-Phenyl-1H-1,2,3-triazol-4-yl)methanol (CAS# 103755-58-4) is a useful research chemical.
Molecular Weight:	175.19
Molecular Formula:	C9H9N3O
Canonical SMILES:	C1=CC=C(C=C1)N2C=C(N=N2)CO
InChI:	InChI=1S/C9H9N3O/c13-7-8-6-12(11-10-8)9-4-2-1-3-5-9/h1-6,13H,7H2
InChI Key:	UBFOXHGJGFQOFV-UHFFFAOYSA-N
Boiling Point:	379.9 °C at 760 mmHg
Melting Point:	114-116 °C
Purity:	95 %
Density:	1.27 g/cm³
Appearance:	Solid
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00100214
LogP:	0.75960

Publication Number	Title	Priority Date
US-2021171475-A1	Compounds	20180831
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

PMID	Publication Date	Title	Journal
21776985	20110908	Novel 1,2,3-triazole derivatives for use against Mycobacterium tuberculosis H37Rv (ATCC 27294) strain	Journal of medicinal chemistry

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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:	159
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.074561919
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	175.074561919
Rotatable Bond Count:	2
Topological Polar Surface Area:	50.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5