AG003CHM

340-06-7 | (S)-2,2,2-Trifluoro-1-phenylethanol

AG003CHM

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CAS Number	340-06-7
Catalog Number	AG003CHM(AGN-PC-0WANU6)
Chemical Name	(S)-2,2,2-Trifluoro-1-phenylethanol
EC Number	206-430-7
IUPAC Name	(1S)-2,2,2-trifluoro-1-phenylethanol
InChI	InChI=1S/C8H7F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12H/t7-/m0/s1
InChI Key	VNOMEAQPOMDWSR-ZETCQYMHSA-N
MDL Number	MFCD00077845
Molecular Formula	C8H7F3O
Molecular Weight	176.1358
SMILES	FC([C@@H](O)C1=CC=CC=C1)(F)F
Synonyms	340-06-7, (S)-(+)-alpha-(Trifluoromethyl)benzyl alcohol, (S)-2,2,2-trifluoro-1-phenylethanol, (1S)-2,2,2-trifluoro-1-phenylethan-1-ol, (S)-1-Phenyl-2,2,2-trifluoroethanol, (1S)-2,2,2-trifluoro-1-phenylethanol, (S)-(+)-1-Phenyl-2,2,2-trifluoroethanol, (S)-(+)-alpha-(Trifluoromethyl)benzyl alcohol, 99%, (+)-Phenyl(trifluoromethyl)carbinol, PubChem15591, AC1LSW58, (s)-1-phenyltrifluoroethanol, SCHEMBL1669527, CTK7F2955, KS-00001FZS, VNOMEAQPOMDWSR-ZETCQYMHSA-N, BDBM108244, ZINC1383797, ANW-27761, MFCD00077845, AKOS006240681, MCULE-2742178711, NE19833, (1S)-1-Phenyl-2,2,2-trifluoroethanol, AJ-25414, AS-10251, ZB016606, (1S)-2,2,2-Trifluoro-1-phenyl-ethanol, S-(+)-1-Phenyl-2,2,2-trifluoroethanol, DB-068923, TC-116506, FT-0692053, P1368, I01-9893, J-019417, Z1442184363, (1S)‐2,2,2‐trifluoro‐1‐phenylethanol (Hit 12), (S)-(+)-alpha-(Trifluoromethyl)benzyl alcohol, puriss., >=99.0% (sum of enantiomers, GC), C8H7F3O, - -ALPHA- BENZYLALCOHOL, C8-H7-F3-O, EINECS 206-430-7, alpha-(Trifluoromethyl) benzyl alcohol, CB11322, CID1472401, (S)-alpha-(Trifluoromethyl)benzyl alcohol, (S)-( )-alpha-(Trifluoromethyl)benzyl alcohol, 99% - 1G 1g,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	176.045g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	176.138g/mol
Monoisotopic Mass	176.045g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H315-H319
Packing Group	Ⅲ
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Signal Words	warning
UN Code	UN 1993

Certificate of Analysis

Lot Number