(1-Isopropyl-1H-pyrazol-3-yl)methanol - CAS 1007513-29-2

Catalog:	BB043023
Product Name:	(1-Isopropyl-1H-pyrazol-3-yl)methanol
CAS:	1007513-29-2
Synonyms:	[1-(Propan-2-yl)-1H-pyrazol-3-yl]methanol; [1-(Methylethyl)pyrazol-3-yl]methan-1-ol; SCHEMBL1064984

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	(1-propan-2-ylpyrazol-3-yl)methanol
Description:	(1-Isopropyl-1H-pyrazol-3-yl)methanol (CAS# 1007513-29-2 ) is a useful research chemical.
Molecular Weight:	140.18
Molecular Formula:	C7H12N2O
Canonical SMILES:	CC(C)N1C=CC(=N1)CO
InChI:	InChI=1S/C7H12N2O/c1-6(2)9-4-3-7(5-10)8-9/h3-4,6,10H,5H2,1-2H3
InChI Key:	ZSTOEPVCZPKMDO-UHFFFAOYSA-N

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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:	106
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.094963011
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	140.094963011
Rotatable Bond Count:	2
Topological Polar Surface Area:	38
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1