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[5-(4-Methylphenyl)isoxazol-3-yl]methanol

[5-(4-Methylphenyl)isoxazol-3-yl]methanol - CAS 640291-93-6

Catalog:	BB053578
Product Name:	[5-(4-Methylphenyl)isoxazol-3-yl]methanol
CAS:	640291-93-6
Synonyms:	(5-(p-tolyl)isoxazol-3-yl)methanol; (5-p-Tolylisoxazol-3-yl)methanol

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanol
Molecular Weight:	189.21
Molecular Formula:	C11H11NO2
Canonical SMILES:	CC1=CC=C(C=C1)C2=CC(=NO2)CO
InChI:	InChI=1S/C11H11NO2/c1-8-2-4-9(5-3-8)11-6-10(7-13)12-14-11/h2-6,13H,7H2,1H3
InChI Key:	YPDITGIFBYDNAC-UHFFFAOYSA-N
Boiling Point:	368.7±32.0 °C at 760 mmHg
Purity:	95%
Density:	1.2±0.1 g/cm3

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Related Functional Groups

Isoxazoles

[861433-83-2]
5-(3,4-Dichlorophenyl)isoxazole-3-carbonyl chloride
[938006-55-4]
Ethyl 5-methyl-4-[(4-nitrophenoxy)methyl]isoxazole-3-carboxylate
[88958-15-0]
Ethyl 5-p-tolylisoxazole-3-carboxylate
[288-14-2]
Isoxazole
[62348-13-4]
Isoxazole-5-carbonyl chloride
[1158369-72-2]
[4-(5-Chloro-1,3-benzoxazol-2-yl)morpholin-2-yl]methylamine hydrochloride

Oxygen Compounds

[77987-49-6]
Z-Glycinol
[52378-69-5]
Diethyl trans-cinnamylphosphonate
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[5416-55-7]
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol
[2960-93-2]
2,2'-Dimethoxy-1,1'-binaphthalene
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid

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:	178
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.078978594
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	189.078978594
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5