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

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

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Triazole/Tetrazole

[1855888-97-9]
N-Benzyl-1-(1-ethyl-1H-1,2,4-triazol-5-yl)methanamine dihydrochloride
[25537-64-8]
4,5-Dibromo-1-methyl-1,2,3-triazole
[1823783-80-7]
Ethyl 4-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate
[1823842-92-7]
Ethyl 4-(5-chloro-1H-1,2,4-triazol-1-yl)butanoate
[4928-88-5]
Methyl-1H-1,2,4-triazole-3-carboxylate
[106535-16-4]
Methyl-2-(1H-1,2,4-triazole-1-yl) acetate

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