AG000XGX

127852-28-2 | Benzenemethanol, α-methyl-3,5-bis(trifluoromethyl)-, (αR)-

AG000XGX

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CAS Number	127852-28-2
Catalog Number	AG000XGX(AGN-PC-0PIN1C)
Chemical Name	Benzenemethanol, α-methyl-3,5-bis(trifluoromethyl)-, (αR)-
IUPAC Name	(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethanol
InChI	InChI=1S/C10H8F6O/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-5,17H,1H3/t5-/m1/s1
InChI Key	MMSCIQKQJVBPIR-RXMQYKEDSA-N
MDL Number	MFCD03093010
Molecular Formula	C10H8F6O
Molecular Weight	258.1603
SMILES	C[C@H](C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)O
Synonyms	127852-28-2, (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol, (r)-1-(3,5-bis(trifluoromethyl)phenyl)ethanol, (R)-1-(3,5-Bis-trifluoromethyl-phenyl)-ethanol, (1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethanol, (r)-1-[3,5-bis(trifluoromethyl)phenyl]ethan-1-ol, (R)-1-(3,5-Bis-trifluoromethylphenyl)ethanol, (r)-1-(3,5-bis(trifluoromethyl)phenyl)ethan-1-ol, MFCD03093010, AK-33073, J-502134, C10H8F6O, (R)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHANOL, zlchem 1281, AC1MCULZ, (R)-1-(3,5-Bis-trifluoromethyl-phenyl)ethanol, KSC515O6B, SCHEMBL265045, CTK4B5760, DTXSID80381243, ZLE0056, MMSCIQKQJVBPIR-RXMQYKEDSA-N, BCP27255, CS-D0702, ZINC2382862, ZX-AP002729, ANW-45499, PC0580, AKOS005063416, AKOS010366354, AC-6709, ACN-026825, AN-5153, CB-1542, QC-4065, RP29202, RTX-010412, KS-0000090E, SEL10816307, AJ-34909, AS-19515, BC209403, CC-01048, CJ-08170, SC-25967, AB0035390, AX8017920, DB-018097, TL8000684, (1R)-3,5-bis(trifluoromethyl)phenylethanol, B4131, FT-0605131, ST24026379, X9712, (r)-[3,5-bis(trifluoromethyl)phenyl] ethanol, K-3981, (r)-1-[3,5-bis(trifluoromethyl)-phenyl]ethanol, (r)-1-[bis-3,5-(trifluoromethyl)phenyl]ethanol, (r)-1-[3,5-bis(trifluoro-methyl)-phenyl]ethanol, AS-813/43495601, C-16058, 3S210902, I01-4532, (1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethan-1-ol, (R)-(+)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol, (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethyl Alcohol, benzenemethanol, alpha-methyl-3,5-bis(trifluoromethyl), (R)-3,5-Bis(trifluoromethyl)-alpha-methylbenzyl Alcohol, (1R)-(+)-1-[3,5-Bis(trifluoromethyl)phenyl]ethan-1-ol, Benzenemethanol, a-methyl-3,5-bis(trifluoromethyl)-,(aR)-, benzenemethanol, a-methyl-3,5-bis(trifluoromethyl)-, (ar)-, (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol, >=98.0% (GC), Benzenemethanol, alpha-methyl-3,5-bis(trifluoromethyl)-, (alphaR)-, CB11977, CID2779031, 1-(3,5-Bis-trifluoromethylphenyl)ethanol, 1-[3,5-bis(trifluoromethyl)phenyl]ethanol, A2674, (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol, 98% - 1G 1g,

Complexity	237
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	258.048g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	258.163g/mol
Monoisotopic Mass	258.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H302-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number