AG0033J0

401-95-6 | 3,5-Bis(trifluoromethyl)benzaldehyde

AG0033J0

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CAS Number	401-95-6
Catalog Number	AG0033J0(AGN-PC-0JMOQN)
Chemical Name	3,5-Bis(trifluoromethyl)benzaldehyde
IUPAC Name	3,5-bis(trifluoromethyl)benzaldehyde
InChI	InChI=1S/C9H4F6O/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-4H
InChI Key	LDWLIXZSDPXYDR-UHFFFAOYSA-N
MDL Number	MFCD00010206
Molecular Formula	C9H4F6O
Molecular Weight	242.1179
SMILES	FC(C=1C=C(C=O)C=C(C1)C(F)(F)F)(F)F
Synonyms	3,5-Bis(trifluoromethyl)benzaldehyde, 401-95-6, 3,5-di(Trifluoromethyl)benzaldehyde, MBT-BAD, Benzaldehyde, 3,5-bis(trifluoromethyl)-, LDWLIXZSDPXYDR-UHFFFAOYSA-N, 3,5-bis-trifluoromethyl-benzaldehyde, MFCD00010206, 3,5-bis-(Trifluoromethyl)benzaldehyde, 3,5-Bis(trifluoromethyl)benzaldehyde, 97%, PubChem4162, ACMC-1AJHV, AC1Q4IRM, SCHEMBL66819, KSC490M1J, AC1L382X, Jsp006950, CTK3J0614, KS-00000FNO, LDWLIXZSDPXYDR-UHFFFAOYSA-, TIMTEC-BB SBB006661, BIS-(Trifluoromethyl)benzaldehyde, DTXSID80193141, 3,5-Bistrifluoromethylbenzaldehyde, WT515, ZINC165018, 3,5 bistrifluoromethyl benzaldehyde, 3,5-Bis-trifluoromethylbenzaldehyde, 3,5-Bistrifluoromethyl benzaldehyde, 3,5-di(trifiuoromethyl)benzaldehyde, 3,5-Di(Trifluoromethyl)benzaldhyde, ACT00787, JRD-0110, 3,5-bis-trifluoromethyl benzaldehyde, ANW-29317, CB-042, SBB006661, 3,5-bis(trifluoromethyl) benzaldehyde, 3,5-bis(trifluoromethyl)-benzaldehyde, 3,5-bis(trifluoromethyl)benz aldehyde, AKOS005063745, AB01024, AC-3824, AM61519, AN-6182, AS01421, CS-W007425, LF10741, MCULE-6190602068, PS-7563, RP28511, RTC-062320, VF10069, 3,5-bis-(trifluoromethyl)-benzaldehyde, TRA-0176028, AJ-16337, AK-76763, BR-76763, CJ-02259, SC-45980, ZB008404, 3,5-Bis(trifluoromethyl)benzaldehyde 98%, [3,5-bis-trifluoromethyl-phenyl)-methanone, AB0008563, DB-021972, TC-062320, TL8002913, A6723, B1751, FT-0614449, ST24028196, ST50307030, C-4604, 401-95-6 3,5-Bis(trifluoromethyl)benzaldehyde, I01-3747, J-511235, J-650269, F0001-1131, InChI=1/C9H4F6O/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-4H, C9H4F6O, CID136247, ZINC00165018, 3,5-Bis(trifluoromethyl) benzaldehyde, 97% - 25G 25g,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.017g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	242.12g/mol
Monoisotopic Mass	242.017g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H315-H319-H335
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number