5-(3-Methoxyphenyl)-1H-tetrazole - CAS 73096-36-3

Catalog:	BB034763
Product Name:	5-(3-Methoxyphenyl)-1H-tetrazole
CAS:	73096-36-3
Synonyms:	5-(3-methoxyphenyl)-2H-tetrazole; 5-(3-methoxyphenyl)-2H-tetrazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-(3-methoxyphenyl)-2H-tetrazole
Description:	5-(3-Methoxyphenyl)-1H-tetrazole (CAS# 73096-36-3) is a useful research chemical.
Molecular Weight:	176.18
Molecular Formula:	C8H8N4O
Canonical SMILES:	COC1=CC=CC(=C1)C2=NNN=N2
InChI:	InChI=1S/C8H8N4O/c1-13-7-4-2-3-6(5-7)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12)
InChI Key:	KVMUPWSDGZTZGM-UHFFFAOYSA-N
Boiling Point:	377.5 °C at 760 mmHg
Melting Point:	156-158 °C
Purity:	95 %
Density:	1.288 g/cm³
MDL:	MFCD03093094
LogP:	0.87530

Publication Number	Title	Priority Date
EP-2726515-A1	Supported alkoxylated organotin reactant, preparation and use for heterogeneous-phase synthesis of tetrazoles	20110630
EP-2726515-B1	Supported alkoxylated organotin reactant, preparation and use for heterogeneous-phase synthesis of tetrazoles	20110630
FR-2977253-A1	Alcoxylic organostannic reagent supported, prepared and used for the synthesis of heterogeneous phase tetrazoles	20110630
US-2014206825-A1	Supported alkoxylated organotin reactant, preparation and use for heterogeneous-phase synthesis of tetrazoles	20110630
US-9724673-B2	Supported alkoxylated organotin reactant, preparation and use for heterogeneous-phase synthesis of tetrazoles	20110630

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Related Functional Groups

Triazole/Tetrazole

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5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
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[25537-64-8]
4,5-Dibromo-1-methyl-1,2,3-triazole
[1415314-22-5]
6-Chloro-8-iodo-[1,2,4]triazolo[1,5-a]pyridine
[1005680-56-7]
Ethyl ({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-YL]-4H-1,2,4-triazol-3-YL}thio)acetate
[13616-37-0]
Ethyl 1H-tetrazole-5-acetate

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	166
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.06981089
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	176.06981089
Rotatable Bond Count:	2
Topological Polar Surface Area:	63.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1