AG0033H8

454-89-7 | 3-(Trifluoromethyl)benzaldehyde

AG0033H8

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CAS Number	454-89-7
Catalog Number	AG0033H8(AGN-PC-0JL86L)
Chemical Name	3-(Trifluoromethyl)benzaldehyde
EC Number	207-228-1
IUPAC Name	3-(trifluoromethyl)benzaldehyde
InChI	InChI=1S/C8H5F3O/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-5H
InChI Key	NMTUHPSKJJYGML-UHFFFAOYSA-N
MDL Number	MFCD00003373
Molecular Formula	C8H5F3O
Molecular Weight	174.1199
SMILES	O=Cc1cccc(c1)C(F)(F)F
UNII	AT7H4H5U3E
Synonyms	3-(Trifluoromethyl)benzaldehyde, 454-89-7, 3-Trifluoromethylbenzaldehyde, m-Trifluoromethylbenzaldehyde, Benzaldehyde, 3-(trifluoromethyl)-, alpha,alpha,alpha-Trifluoro-m-tolualdehyde, a,a,a-trifluoro-m-tolualdehyde, alpha,alpha,alpha-Trifluoro-3-tolualdehyde, UNII-AT7H4H5U3E, MFCD00003373, 3-(trifluoromethyl)-benzaldehyde, MTF-BAD, 3-Formylbenzotrifluoride, EINECS 207-228-1, AT7H4H5U3E, 3-(Trifluoromethyl)benzaldehyd, alpha, alpha, alpha-Trifluoro-m-tolualdehyde, 3-(trifluoromethyl) benzaldehyde, NMTUHPSKJJYGML-UHFFFAOYSA-N, BENZOTRIFLUORIDE-3-CARBALDEHYDE, 3-(Trifluoromethyl)benzaldehyde, 97%, alpha,alpha,alpha-Trifluoro-m-toluylaldehyde, 3-(trifluoro methyl)benzaldehyde, m-(trifluoromethyl)benzaldehyde, PubChem1473, ACMC-1AMCG, AC1Q4IVQ, m-trifluoromethylbezaldehyde, 3-trifluormethylbenzaldehyde, AC1L28SE, AC1Q4J7P, 3-trifluoromethy-benzaldehyde, SCHEMBL67201, m-trifluoromethyl benzaldehyde, 3-trifluoromethyl-benzaldehyde, KSC236Q9H, 3-Trifluoromethyl benzaldehyde, meta-trifluoromethylbenzaldehyde, DTXSID8022032, m-(trifluoromethyl) benzaldehyde, 3- (trifluoromethyl)benzaldehyde, CTK1D6893, ATTERCOP-CHM AT110813, WT179, ZINC164958, ART-CHEM-BB ACB001881, ACT00891, ALBB-008922, CS-M1039, JRD-0026, KS-000000BR, ANW-30286, SBB049641, STK505660, 3-(trifluoromethyl)benzenecarbaldehyde, AKOS000321287, AC-3866, AS01496, LF10737, m-(TRIFLUOROMETHYL)-BENZALDEHYDE, MCULE-9048023792, PS-8632, RP23611, RTC-060536, TRA0027236, AJ-16332, AK-47415, AN-12563, BR-47415, CJ-02257, SC-04646, TL806332, ZB008389, 3-(TRIFLUOROMETHYL)BENZOCARBALDEHYDE, 454-89-7 3-(trifluoromethyl)benzaldehyde, DB-014206, LS-184877, TC-060536, AM20060044, FT-0613919, ST24028367, ST50411791, X2739, EN300-21347, Q-8499, 79045-EP2305695A2, 79045-EP2305696A2, 79045-EP2305697A2, 79045-EP2305698A2, .alpha. .alpha. .alpha.-Trifluoro-m-tolualdehyde, I01-0194, m-Tolualdehyde, .alpha.,.alpha.,.alpha.-trifluoro-, W-106135, F2190-0731, Z1741956764, InChI=1/C8H5F3O/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-5, vhr cxfff, m-(trifluoromethyl)benzoyl, C8H5F3O, a,a,a-Trifluoro-3-tolualdehyde, ?,?,?-Trifluoro-3-tolualdehyde, C8-H5-F3-O, CID67990, AR-1L8150, ZINC00164958, 3-(Trifluoromethyl)benzaldehyde 100g, ACN-050637, A7162, T1399, 3-(Trifluoromethyl)benzaldehyde, 98% - 100G 100g, 4887-42-7,

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	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3082

Certificate of Analysis

Lot Number