3-(Trifluoromethyl)phenethyl alcohol - CAS 455-01-6

Name: 3-(Trifluoromethyl)phenethyl alcohol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB025899
Product Name:	3-(Trifluoromethyl)phenethyl alcohol
CAS:	455-01-6
Synonyms:	2-[3-(trifluoromethyl)phenyl]ethanol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-[3-(trifluoromethyl)phenyl]ethanol
Description:	3-(Trifluoromethyl)phenethyl alcohol (CAS# 455-01-6) is a useful research chemical.
Molecular Weight:	190.16
Molecular Formula:	C9H9F3O
Canonical SMILES:	C1=CC(=CC(=C1)C(F)(F)F)CCO
InChI:	InChI=1S/C9H9F3O/c10-9(11,12)8-3-1-2-7(6-8)4-5-13/h1-3,6,13H,4-5H2
InChI Key:	YDKIPCCKZKQMDT-UHFFFAOYSA-N
Boiling Point:	216.9 °C at 760 mmHg
Purity:	95 %
Density:	1.261 g/cm³
MDL:	MFCD00009710
LogP:	2.24020

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Related Functional Groups

Oxygen Compounds

[5333-45-9]C10H14O4
1,2,3,5-Tetramethoxybenzene
[202288-73-1]C12H14Cl2N2O
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[1183749-69-0]C10H8N2O2
2-(pyrimidin-2-yloxy)phenol
[5416-55-7]C10H20O5
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol
[2960-93-2]C22H18O2
2,2'-Dimethoxy-1,1'-binaphthalene
[56517-33-0]C11H13BrO3
2-Bromo-4-isopropoxy-5-methoxybenzaldehyde

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

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Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.06054939
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	190.06054939
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4