AG003F5G

447-61-0 | 2-(Trifluoromethyl)benzaldehyde

AG003F5G

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CAS Number	447-61-0
Catalog Number	AG003F5G(AGN-PC-0WA5GI)
Chemical Name	2-(Trifluoromethyl)benzaldehyde
EC Number	207-185-9
IUPAC Name	2-(trifluoromethyl)benzaldehyde
InChI	InChI=1S/C8H5F3O/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-5H
InChI Key	ZDVRPKUWYQVVDX-UHFFFAOYSA-N
MDL Number	MFCD00003337
Molecular Formula	C8H5F3O
Molecular Weight	174.1199
SMILES	C1=CC=CC(=C1C=O)C(F)(F)F
Synonyms	2-(Trifluoromethyl)benzaldehyde, 447-61-0, 2-Trifluoromethylbenzaldehyde, o-(Trifluoromethyl)benzaldehyde, o-trifluoromethylbenzaldehyde, alpha,alpha,alpha-Trifluoro-o-tolualdehyde, Benzaldehyde, 2-(trifluoromethyl)-, 2-(trifluoromethyl)-benzaldehyde, ortho-trifluoromethyl-benzaldehyde, OTF-BAD, trifluoromethylbenzaldehyde, MFCD00003337, A,A,A-TRIFLUORO-O-TOLUALDEHYDE, o-trifluoromethyl benzaldehyde, ZDVRPKUWYQVVDX-UHFFFAOYSA-N, BENZOTRIFLUORIDE-2-CARBALDEHYDE, o-Tolualdehyde, .alpha.,.alpha.,.alpha.-trifluoro-, 2-(Trifluoromethyl)benzaldehyde, 97%, 244049-72-7, EINECS 207-185-9, zlchem 301, PubChem1472, 2-Formylbenzotrifluoride, ACMC-209jzw, AC1L3VSE, EC 207-185-9, AC1Q4IN6, (trifluoromethyl)benzaldehyde, 2-trifluoromethyibenzaldehyde, SCHEMBL67207, 2-trifluoromethyl-benzaldehyde, Integrase inhibitor, R2{5}, KSC194S3L, 2-Trifluoromethyl benzaldehyde, BDBM93344, Benzaldehyde, (trifluoromethyl)-, CTK0J4935, ortho(trifluoromethyl)benzaldehyde, TIMTEC-BB SBB040211, DTXSID40196279, ZLC0124, 2-(trifluoromethyl) -benzaldehyde, ATTERCOP-CHM AT111039, LABOTEST-BB LTBB005096, ortho-(trifluoromethyl)benzaldehyde, WT078, ZINC164879, ACT01200, JRD-0380, KS-00000AY6, AKOS BBS-00003172, ANW-30186, LABOTEST-BB LT03381703, SBB040211, 2-(Trifluoromethyl)benzaldehyde, 98%, AKOS000119868, AC-2901, AN-1574, AS01495, CS-W009016, MCULE-5777100406, PF11008, PS-8633, RP23612, RTC-060382, TRA0060040, AJ-16310, AK-35203, BC204813, BR-35203, SC-04585, SY003300, ZB008351, 447-61-0 2-(trifluoromethyl)benzaldehyde, AB0030537, DB-024048, TC-060382, TL8003124, AM20060045, FT-0608952, ST24027679, ST50213360, X2738, C-4549, 96303-EP2292227A2, 96303-EP2305629A1, MFCD00003337 (97+%), .alpha.,.alpha.,.alpha.-Trifluoro-o-tolualdehyde, A826680, I01-0193, I02-2595, W-106176, F2191-0140, InChI=1/C8H5F3O/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-5, vhr bxfff, 2- BENZALDEHYDE, o-(trifluoromethyl)benzoyl, C8H5F3O, C8-H5-F3-O, AR-1L8147, CID123067, ZINC00164879, ACN-056144, A7105, T1281, 2-(Trifluoromethyl)benzaldehyde, 98% - 5G 5g, 48216-85-9,

Complexity	164
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.029g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	174.122g/mol
Monoisotopic Mass	174.029g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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

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