1-Methyl-1H-1,2,4-triazole-3-methanol - CAS 135242-93-2

Name: 1-Methyl-1H-1,2,4-triazole-3-methanol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB008114
Product Name:	1-Methyl-1H-1,2,4-triazole-3-methanol
CAS:	135242-93-2
Synonyms:	(1-methyl-1,2,4-triazol-3-yl)methanol; (1-methyl-1,2,4-triazol-3-yl)methanol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(1-methyl-1,2,4-triazol-3-yl)methanol
Description:	1-Methyl-1H-1,2,4-triazole-3-methanol (CAS# 135242-93-2) is a useful research chemical.
Molecular Weight:	113.12
Molecular Formula:	C4H7N3O
Canonical SMILES:	CN1C=NC(=N1)CO
InChI:	InChI=1S/C4H7N3O/c1-7-3-5-4(2-8)6-7/h3,8H,2H2,1H3
InChI Key:	WEDYTSQNYJKOPC-UHFFFAOYSA-N
Boiling Point:	296.847 °C at 760 mmHg
Density:	1.336 g/cm³
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD16710296
LogP:	-0.69260

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Related Functional Groups

Triazole/Tetrazole

[1415314-22-5]C6H3ClIN3
6-Chloro-8-iodo-[1,2,4]triazolo[1,5-a]pyridine
[1823402-86-3]C7H10BrN3O2
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)propanoate
[1823462-45-8]C8H12ClN3O2
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)butanoate
[1823967-22-1]C7H10ClN3O2
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)propanoate
[1823829-53-3]C7H10ClN3O2
Ethyl 2-(5-chloro-1H-1,2,4-triazol-1-yl)propanoate
[832740-88-2]C8H6F2N4O
5-(4-Difluoromethoxy-phenyl)-2H-tetrazole

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021080330-A1	Nicotinamide compound and herbicidal composition comprising compound	20191021
KR-20210047264-A	Nicotinamide Compounds and Herbicide Composition Comprising the Same	20191021
WO-2021025976-A1	Substituted cyclopropyl-2,2'-bipyrimidinyl compounds, analogues thereof, and methods using same	20190802
WO-2020123674-A1	Substituted arylmethylureas and heteroarylmethylureas, analogues thereof, and methods using same	20181212
TW-202035359-A	Substituted arylmethylureas and heteroarylmethylureas, analogues thereof, and methods using same	20181212

Complexity:	77.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	113.058911855
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	113.058911855
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.8