(5-Phenyl-3-isoxazolyl)methanol - CAS 1619-37-0

Catalog:	BB053424
Product Name:	(5-Phenyl-3-isoxazolyl)methanol
CAS:	1619-37-0
Synonyms:	(5-Phenylisoxazol-3-yl)methanol; 3-Isoxazolemethanol, 5-phenyl-; 3-Hydroxymethyl-5-phenylisoxazole; (5-phenylisoxazol-3-yl)methan-1-ol; 5-Phenylisoxazole-3-methanol; 5-phenyl-3-hydroxymethylisoxazole

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	(5-phenyl-1,2-oxazol-3-yl)methanol
Molecular Weight:	175.18
Molecular Formula:	C10H9NO2
Canonical SMILES:	C1=CC=C(C=C1)C2=CC(=NO2)CO
InChI:	InChI=1S/C10H9NO2/c12-7-9-6-10(13-11-9)8-4-2-1-3-5-8/h1-6,12H,7H2
InChI Key:	BPAFLGGUEBMWRN-UHFFFAOYSA-N
Boiling Point:	362.8±27.0°C (Predicted)
Melting Point:	98-100°C
Purity:	95%
Density:	1.211±0.1 g/cm3 (Predicted)

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Related Functional Groups

Alcohols and Derivatives

[77987-49-6]
Z-Glycinol
[108100-06-7]
(S)-1-(2-Methoxyphenyl)ethanol
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[2006278-33-5]
2-(6-Methoxy-2-naphthyl)-4-pentyn-2-ol
[1017184-54-1]
3-Amino-2-(2-pyridylmethyl)-1-propanol
[906075-48-7]
3-Hydroxy-2-(2-thienylmethyl)propanenitrile

Isoxazoles

[126085-91-4]
Ethyl-5-(tributylstannyl)isoxazole-3-carboxylate
[100189-59-1]
Ethyl 5-(2-pyridyl)-4,5-dihydroisoxazole-3-carboxylate
[33277-15-5]
Ethyl 5-(4-bromophenyl)isoxazole-3-carboxylate
[640291-92-5]
Ethyl 5-(4-fluorophenyl)isoxazole-3-carboxylate
[625120-13-0]
Ethyl 5-(trifluoromethyl)isoxazole-3-carboxylate
[3209-72-1]
Ethyl 5-methylisoxazole-3-carboxylate

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:	157
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.06332853
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	175.06332853
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2