1H-Pyrazole-4-methanol, -α-,1,3,5-tetramethyl- - CAS 1007504-11-1

Catalog:	BB053547
Product Name:	1H-Pyrazole-4-methanol, -α-,1,3,5-tetramethyl-
CAS:	1007504-11-1
Synonyms:	1-(1,3,5-trimethylpyrazol-4-yl)ethanol; 1-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethanol; 1007504-11-1; SBB026903; 1-(1,3,5-trimethylpyrazol-4-yl)ethan-1-ol; SCHEMBL7381336

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	1-(1,3,5-trimethylpyrazol-4-yl)ethanol
Molecular Weight:	154.21
Molecular Formula:	C8H14N2O
Canonical SMILES:	CC1=C(C(=NN1C)C)C(C)O
InChI:	InChI=1S/C8H14N2O/c1-5-8(7(3)11)6(2)10(4)9-5/h7,11H,1-4H3
InChI Key:	QLXNNOQOYZJECH-UHFFFAOYSA-N
Boiling Point:	263.9±35.0 °C at 760 mmHg
Purity:	95%
Density:	1.1±0.1 g/cm3

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Related Functional Groups

Oxygen Compounds

[5896-75-3]
(Z)-N-(4-Phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[5333-45-9]
1,2,3,5-Tetramethoxybenzene
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[202288-73-1]
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[37503-42-7]
2-Hydroxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

Pyrazoles

[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1082066-00-9]
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde

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:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.110613074
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	154.110613074
Rotatable Bond Count:	1
Topological Polar Surface Area:	38
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5