(3-Cyclopropylisoxazol-5-yl)methanol - CAS 121604-45-3

Catalog:	BB051793
Product Name:	(3-Cyclopropylisoxazol-5-yl)methanol
CAS:	121604-45-3
Synonyms:	(3-Cyclopropyl-5-isoxazolyl)methanol; (3-cyclopropylisoxazol-5-yl)methan-1-ol

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	(3-cyclopropyl-1,2-oxazol-5-yl)methanol
Molecular Weight:	139.15
Molecular Formula:	C7H9NO2
Canonical SMILES:	C1CC1C2=NOC(=C2)CO
InChI:	InChI=1S/C7H9NO2/c9-4-6-3-7(8-10-6)5-1-2-5/h3,5,9H,1-2,4H2
InChI Key:	JSAGCRJDUAYEFD-UHFFFAOYSA-N
Boiling Point:	305.8±27.0 °C at 760 mmHg
Purity:	95%
Density:	1.3±0.1 g/cm3
Appearance:	Clear Yellow Liquid

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Related Functional Groups

Alcohols and Derivatives

[77987-49-6]
Z-Glycinol
[62972-93-4]
(Z)-11-Octadecen-1-ol
[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[112256-09-4]
1-Cyclopentyl-2-propyn-1-ol
[18621-17-5]
1-Benzhydrylazetan-3-ol
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol

Isoxazoles

[712347-12-1]
3-(2-Chloro-6-fluorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid
[473253-40-6]
3-(4-Methoxyphenyl)-4,5-dihydroisoxazole-5-carboxylic acid
[618383-47-4]
3-(4-Methoxyphenyl)isoxazole-5-carboxylic acid
[326829-08-7]
3-Chloro-5,5-dimethyl-4,5-dihydroisoxazole
[126085-91-4]
Ethyl-5-(tributylstannyl)isoxazole-3-carboxylate
[1356543-58-2]
Ethyl 3-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazole-5-carboxylate

Nitrogen Compounds

[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile
[2241982-86-3]
3-(Phenyl-2-D)propanenitrile-2,2-D2
[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine

Oxygen Compounds

[77987-49-6]
Z-Glycinol
[5416-55-7]
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol
[2960-93-2]
2,2'-Dimethoxy-1,1'-binaphthalene
[37503-42-7]
2-Hydroxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
[24550-39-8]
3-[(4-Chlorobenzyl)oxy]benzaldehyde
[937601-34-8]
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid

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:	125
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	139.06332853
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	139.06332853
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1