AG003FOT

59664-42-5 | 2,4-Bis(trifluoromethyl)benzaldehyde

AG003FOT

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CAS Number	59664-42-5
Catalog Number	AG003FOT(AGN-PC-0KK7KN)
Chemical Name	2,4-Bis(trifluoromethyl)benzaldehyde
IUPAC Name	2,4-bis(trifluoromethyl)benzaldehyde
InChI	InChI=1S/C9H4F6O/c10-8(11,12)6-2-1-5(4-16)7(3-6)9(13,14)15/h1-4H
InChI Key	DLRCWXOCZIUZBS-UHFFFAOYSA-N
MDL Number	MFCD00083535
Molecular Formula	C9H4F6O
Molecular Weight	242.1179
SMILES	O=CC1=CC=C(C(F)(F)F)C=C1C(F)(F)F
Synonyms	2,4-Bis(trifluoromethyl)benzaldehyde, 59664-42-5, 2,4-DITRIFLUOROMETHYLBENZALDEHYDE, 2,4-Bis-trifluoromethyl-benzaldehyde, MFCD00083535, AK-35790, Benzaldehyde, 2,4-bis(trifluoromethyl)-, PubChem7129, AC1MC4TF, ACMC-209xb0, AC1Q4J3B, KSC610E6L, SCHEMBL472401, CTK5B0265, DTXSID80371124, 2,4-bistrifluoromethylbenzaldehyde, DLRCWXOCZIUZBS-UHFFFAOYSA-N, ACT00468, JRD-0328, ZINC2575061, ZX-AP000430, 2,4-bis trifluoromethyl benzaldehyde, ANW-47434, CL8246, DT1840, PC3062, SBB064689, 2,4-Bis(trifluoromethyl)-benzaldehyde, AKOS005258244, AM62290, AS03344, CS-W012783, DS-1643, LF10740, MCULE-1305907324, PS-7565, TRA0073637, VZ22449, Benzaldehyde,2,4-bis(trifluoromethyl)-, KS-000010U8, AJ-42322, BR-35790, CC-07242, CJ-10060, SC-78155, 2,4-Bis(trifluoromethyl)benzaldehyde, 97%, 2,4-Bis(trifluoromethyl)benzaldehyde, 98%, AB0025738, AX8007164, DB-005851, ST2415737, TC-030555, B4206, FT-0080220, FT-0609950, FT-0660016, ST50827020, W7250, C-5095, A832413, C-14556, I01-5461, C9H4F6O, 2,4-BIS BENZALDEHYDE, ZINC02575061, CID2736095, 2,4-Bis(trifluoromethyl)benzaldehyde, 98% - 1G 1g,

Complexity	256
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	3.2

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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