[1-(Propan-2-yl)-1H-1,2,4-triazol-5-yl]methanol - CAS 111340-39-7

Name: [1-(Propan-2-yl)-1H-1,2,4-triazol-5-yl]methanol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB050844
Product Name:	[1-(Propan-2-yl)-1H-1,2,4-triazol-5-yl]methanol
CAS:	111340-39-7
Synonyms:	(1-isopropyl-1H-1,2,4-triazol-5-yl)methanol; (2-isopropyl-2H-1,2,4-triazol-3-yl)methanol; 1H-1,2,4-Triazole-5-methanol, 1-(1-methylethyl)-; 1-(1-Methylethyl)-1H-1,2,4-triazole-5-methanol

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	(2-propan-2-yl-1,2,4-triazol-3-yl)methanol
Molecular Weight:	141.17
Molecular Formula:	C6H11N3O
Canonical SMILES:	CC(C)N1C(=NC=N1)CO
InChI:	InChI=1S/C6H11N3O/c1-5(2)9-6(3-10)7-4-8-9/h4-5,10H,3H2,1-2H3
InChI Key:	XIAOMTCYUPNRKB-UHFFFAOYSA-N
Boiling Point:	290.4±42.0°C at 760 mmHg
Density:	1.2±0.1 g/cm3

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Related Functional Groups

Alcohols and Derivatives

[113724-48-4]C9H12O2
(R)-1-(2-Methoxyphenyl)ethanol
[108100-06-7]C9H12O2
(S)-1-(2-Methoxyphenyl)ethanol
[1946823-77-3]C7H9F3N2O
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[112256-09-4]C8H12O
1-Cyclopentyl-2-propyn-1-ol
[1017184-54-1]C9H14N2O
3-Amino-2-(2-pyridylmethyl)-1-propanol
[155310-11-5]C3H7F2NO
3-Amino-2,2-difluoro-1-propanol

Triazole/Tetrazole

[6926-51-8]C8H8N4O
5-(4-Methoxyphenyl)-2H-tetrazole
[1415314-22-5]C6H3ClIN3
6-Chloro-8-iodo-[1,2,4]triazolo[1,5-a]pyridine
[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
[86152-46-7]C6H10N4O2
Ethyl 2-(5-amino-4H-1,2,4-triazol-3-yl)acetate
[1823402-59-0]C8H12BrN3O2
Ethyl 2-(5-bromo-1H-1,2,4-triazol-1-yl)butanoate

GHS Hazard Statement:	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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	107
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	141.090211983
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	141.090211983
Rotatable Bond Count:	2
Topological Polar Surface Area:	50.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1