3-(4H-1,2,4-Triazol-4-yl)phenol - CAS 746656-39-3

Name: 3-(4H-1,2,4-Triazol-4-yl)phenol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB035129
Product Name:	3-(4H-1,2,4-Triazol-4-yl)phenol
CAS:	746656-39-3
Synonyms:	3-(1,2,4-triazol-4-yl)phenol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-(1,2,4-triazol-4-yl)phenol
Description:	3-(4H-1,2,4-Triazol-4-yl)phenol (CAS# 746656-39-3) is a useful research chemical.
Molecular Weight:	161.16
Molecular Formula:	C8H7N3O
Canonical SMILES:	C1=CC(=CC(=C1)O)N2C=NN=C2
InChI:	InChI=1S/C8H7N3O/c12-8-3-1-2-7(4-8)11-5-9-10-6-11/h1-6,12H
InChI Key:	HGYDYAJSQGPQKI-UHFFFAOYSA-N
Boiling Point:	388.3 °C at 760 mmHg
Density:	1.32 g/cm³
LogP:	0.97290

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Related Functional Groups

Triazole/Tetrazole

[6926-51-8]C8H8N4O
5-(4-Methoxyphenyl)-2H-tetrazole
[828291-81-2]C17H16BrN3OS
5-(3-((2-Bromophenoxy)methyl)phenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol
[1415314-22-5]C6H3ClIN3
6-Chloro-8-iodo-[1,2,4]triazolo[1,5-a]pyridine
[1823442-03-0]C8H12BrN3O2
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate
[1823402-86-3]C7H10BrN3O2
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)propanoate
[1823829-53-3]C7H10ClN3O2
Ethyl 2-(5-chloro-1H-1,2,4-triazol-1-yl)propanoate

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

Publication Number	Title	Priority Date
CN-108842932-A	A kind of high guarantor's clay soil/polyolefin antiadhesion barrier and preparation method thereof	20180709
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CN-111344284-A	Compounds useful as inhibitors of isoprene cysteine carboxymethyltransferase	20170912
EP-3681878-A1	Compounds useful as inhibitors of isoprenylcysteine carboxyl methyltransferase	20170912

Complexity:	147
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.058911855
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	161.058911855
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7