AG003DT8

454-91-1 | Alpha-Methyl-3-(TRIFLUOROMethyl)Benzyl Alcohol

AG003DT8

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CAS Number	454-91-1
Catalog Number	AG003DT8(AGN-PC-0RTOQY)
Chemical Name	Alpha-Methyl-3-(TRIFLUOROMethyl)Benzyl Alcohol
IUPAC Name	1-[3-(trifluoromethyl)phenyl]ethanol
InChI	InChI=1S/C9H9F3O/c1-6(13)7-3-2-4-8(5-7)9(10,11)12/h2-6,13H,1H3
InChI Key	YNVXCOKNHXMBQC-UHFFFAOYSA-N
MDL Number	MFCD00021868
Molecular Formula	C9H9F3O
Molecular Weight	190.1624
SMILES	CC(O)C1=CC(=CC=C1)C(F)(F)F
Synonyms	454-91-1, 1-(3-(Trifluoromethyl)phenyl)ethanol, 1-[3-(Trifluoromethyl)phenyl]ethanol, alpha-Methyl-3-(trifluoromethyl)benzyl alcohol, 1-[3-(TRIFLUOROMETHYL)PHENYL]ETHAN-1-OL, MFCD00021868, alpha-Methyl-3-trifluoromethylbenzyl alcohol, PubChem7467, AC1Q2BTG, .alpha.-Methyl-m-trifluoromethylbenzyl alcohol, 3-trifluoromethylphenylethanol, 3-trifluoromethylphenyl ethanol, AC1L386X, SCHEMBL1044909, CTK4I8833, YNVXCOKNHXMBQC-UHFFFAOYSA-N, KS-000008WQ, 6269AB, ANW-54965, SBB067633, AKOS000249064, AKOS016842828, 1-(3-(trifluoromethyl)-phenyl)ethanol, MCULE-7542899984, PS-6325, TRA0169264, SC-04648, SY005054, 3-trifluoromethyl-alpha-methylbenzyl alcohol, AB0053067, alpha-Methyl-m-trifluoromethylbenzyl alcohol, DB-070659, TR-017278, (+/-)-1-(3-trifluoromethylphenyl)-ethanol, FT-0622173, ST24026865, ST50405199, Benzenemethanol, a-methyl-3-(trifluoromethyl)-, C-4916, .alpha.-Methyl-3-(trifluoromethyl)benzyl alcohol, MFCD00021868 (97+%), A805757, alpha-Methyl-3-(trifluoromethyl)benzyl alcohol 97%, I14-4575, C9H9F3O, CID136296, (R)-1-(3-(trifluoromethyl)phenyl)ethanol, (S)-1-(3-(Trifluoromethyl)phenyl)ethanol, (1R)-1-[3-(trifluoromethyl)phenyl]ethanol, (1S)-1-[3-(trifluoromethyl)phenyl]ethanol, 127852-24-8, 96789-80-9, alpha-Methyl-3-(trifluoromethyl)benzyl alcohol, 96% - 1G 1g,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.061g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	190.165g/mol
Monoisotopic Mass	190.061g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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