2,3,6-Trifluorobenzyl alcohol - CAS 114152-19-1

Name: 2,3,6-Trifluorobenzyl alcohol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB003302
Product Name:	2,3,6-Trifluorobenzyl alcohol
CAS:	114152-19-1
Synonyms:	(2,3,6-trifluorophenyl)methanol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(2,3,6-trifluorophenyl)methanol
Description:	2,3,6-Trifluorobenzyl alcohol (CAS# 114152-19-1) is a useful research chemical.
Molecular Weight:	162.11
Molecular Formula:	C7H5F3O
Canonical SMILES:	C1=CC(=C(C(=C1F)CO)F)F
InChI:	InChI=1S/C7H5F3O/c8-5-1-2-6(9)7(10)4(5)3-11/h1-2,11H,3H2
InChI Key:	DWOWBLURUYIVOU-UHFFFAOYSA-N
Boiling Point:	187 °C at 760 mmHg
Melting Point:	43-45 °C
Purity:	95 %
Density:	1.398 g/cm³
Appearance:	White crystalline
MDL:	MFCD00061205
LogP:	1.59620

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Related Functional Groups

Oxygen Compounds

[544-62-7]C21H44O3
Batyl alcohol
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[77987-49-6]C10H13NO3
Z-Glycinol
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[5333-45-9]C10H14O4
1,2,3,5-Tetramethoxybenzene
[1011396-69-2]C12H17F2NO2
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine

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 (40%): 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:	131
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	162.02924926
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	162.02924926
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3