AG0033IZ

30071-93-3 | 3',5'-Bis(trifluoromethyl)acetophenone

AG0033IZ

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CAS Number	30071-93-3
Catalog Number	AG0033IZ(AGN-PC-0JLNLO)
Chemical Name	3',5'-Bis(trifluoromethyl)acetophenone
EC Number	250-023-7
IUPAC Name	1-[3,5-bis(trifluoromethyl)phenyl]ethanone
InChI	InChI=1S/C10H6F6O/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-4H,1H3
InChI Key	MCYCSIKSZLARBD-UHFFFAOYSA-N
MDL Number	MFCD00009910
Molecular Formula	C10H6F6O
Molecular Weight	256.1445
SMILES	CC(C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)=O
Synonyms	30071-93-3, 3',5'-Bis(trifluoromethyl)acetophenone, 3,5-Bis(trifluoromethyl)acetophenone, 1-(3,5-bis(trifluoromethyl)phenyl)ethanone, 1-[3,5-bis(trifluoromethyl)phenyl]ethan-1-one, 1-[3,5-Bis(trifluoromethyl)phenyl]ethanone, 1-[3,5-di(trifluoromethyl)phenyl]ethan-1-one, MBT-AC, MFCD00009910, 1-(3,5-Bis(trifluoromethyl)phenyl)ethan-1-one, 3,5-ditrifluoromethylacetophenone, Ethanone, 1-[3,5-bis(trifluoromethyl)phenyl]-, MCYCSIKSZLARBD-UHFFFAOYSA-N, 3',5'-bis-trifluoromethylacetophenone, 3,5-Bis(trifluoromethyl) acetophenone, 1-acetyl-3,5-bis(trifluoromethyl)benzene, 3',5'-BIS(TRIFTUAROMETHYL) ACETOPHENONE, EINECS 250-023-7, PubChem2540, 3',5'-bis(triftuaromethyl)acetophenone, ACMC-209hcu, AC1L3T2Y, AC1Q1JK0, AC1Q1JK1, AC1Q4JJ0, SCHEMBL96116, KSC222G8J, Jsp005687, CTK1C2384, MCYCSIKSZLARBD-UHFFFAOYSA-, TIMTEC-BB SBB005963, DTXSID90184146, ATTERCOP-CHM AT114871, ZINC163156, ACT04229, CS-D1736, JRD-0037, 3,5-di(Trifluoromethyl)acetophenone, ANW-26764, FC0951, RW2297, SBB005963, AKOS005063419, 3',5'-Di(trifluoromethyl)acetophenone, 3,5-DI(TRIFLUOROMETHYL)HYPNONE, AC-3615, AS01170, CM11132, LF10151, LS10416, MCULE-1161989953, PB14074, PS-7402, RP29127, RTC-062115, VZ25265, 3;,5;-Bis(trifluoromethyl)acetophenone, KS-00000C33, 3',5'-bis(trifluoromethyl) acetophenone, 3',5'-bis-(trifluoromethyl)acetophenone, AJ-15989, AK-47483, AN-12816, BC219828, BR-47483, SC-03262, ST057599, SY013714, ZB007932, AB0011616, ST2408544, TL8002329, A5549, AM20060284, FT-0602440, 3',5'-(DITRIFLUOROMETHYL)ACETOPHENONE, EN300-55950, MFCD00009910 (98%), 1-[3,5-bis(trifluoromethyl)-phenyl]-ethanone, 1-[3,5-Bis(trifluoromethyl)phenyl]ethanone #, 3',5'-Bis(trifluoromethyl)acetophenone, 98%, C-4835, 3,5-BIS(TRIFLUOROMETHYL)PHENYLMETHYLKETONE, 1-[3,5 bis-(trifluoro-methyl)phenyl]ethane-1-one, I01-0818, W-106960, Z1251171230, 5-Acetyl-alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-m-xylene, 3 inverted exclamation mark ,5 inverted exclamation mark -Bis(trifluoromethyl)acetophenone, InChI=1/C10H6F6O/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-4H,1H3, C10H6F6O, bis(trifluoromethyl)acetophenone, C10-H6-F6-O, AR-1E9462, CID121616, ZINC00163156, ACN-054295, B1949, 1-(3,5-Bis-trifluoromethyl-phenyl)-ethanone, Ethanone, 1-(3,5-bis(trifluoromethyl)phenyl)-, 3,5-Bis(trifluoromethyl)acetophenone, 99% - 25G 25g, 30937-53-2,

Complexity	270
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	256.032g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	256.147g/mol
Monoisotopic Mass	256.032g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number