AG00083Y

102684-91-3 | Benzaldehyde, 2-bromo-5-(trifluoromethyl)-

AG00083Y

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CAS Number	102684-91-3
Catalog Number	AG00083Y(AGN-PC-0LW7YV)
Chemical Name	Benzaldehyde, 2-bromo-5-(trifluoromethyl)-
IUPAC Name	2-bromo-5-(trifluoromethyl)benzaldehyde
InChI	InChI=1S/C8H4BrF3O/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-4H
InChI Key	CSOBJYGHQOLWOD-UHFFFAOYSA-N
MDL Number	MFCD04973760
Molecular Formula	C8H4BrF3O
Molecular Weight	253.0160
SMILES	BrC1=C(C=O)C=C(C=C1)C(F)(F)F
Synonyms	2-Bromo-5-(trifluoromethyl)benzaldehyde, 102684-91-3, 2-bromo-5-trifluoromethylbenzaldehyde, 875664-28-1, 4-Bromo-3-formylbenzotrifluoride, Benzaldehyde, 2-bromo-5-(trifluoromethyl)-, 2-BROMO-5-(1,1-DIMETHYLETHYL)-BENZALDEHYDE, MFCD04973760, BENZALDEHYDE, 2-BROMO-5-(1,1-DIMETHYLETHYL)-, PARAGOS 530289, PubChem1428, PubChem4179, KSC498C1D, SCHEMBL138245, ACMC-20982j, Jsp000297, CTK3J8111, KS-00000FCV, CSOBJYGHQOLWOD-UHFFFAOYSA-N, ACT05596, bromo 5-trifluoromethyl benzaldehyde, ZINC2541332, ANW-14729, BBL101220, CL8259, FC1202, RW3560, SBB063621, STL555016, WT1578, 2-bromo-5-trifluoromethyl benzaldehyde, AKOS005063830, 2-bromo-5-(trifluoromethy)benzaldehyde, 2-Bromo-5-trifluoromethyl-benzaldehyde, AB21419, AC-2296, AS01435, AS02899, CB-2216, CM11865, CS-W007492, DS-0448, LF10647, MCULE-2364606843, PS-7449, QC-2243, RP29011, RTR-000642, TRA0054341, 2-bromo-5-(trifiuoromethyl)benzaldehyde, AJ-39152, AK-25262, AN-14078, BC002162, BC002735, BC658835, BR-25262, CJ-09235, SC-47459, SY014638, 2-bromanyl-5-(trifluoromethyl)benzaldehyde, AB0030515, DB-006009, DB-010973, TR-000642, 4CH-006784, AM20020106, B4508, FT-0081536, FT-0601376, FT-0651178, ST24027836, ST51041806, X2713, A-4204, MFCD04973760 (95+%), 102684-91-3 4-Bromo-3-formylbenzotrifluoride, 684B913, A842265, 2-Bromo-5-(trifluoromethyl)benzaldehyde, AldrichCPR, I01-2345, I01-5527, J-508328, 2-bromo-5-(trifluoromethyl)benzaldehyde 102684-91-3, C8H4BrF3O, ZINC02541332, ACN-055648, CID7018047, A1471, 13010-19-0,

Complexity	192
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.94g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	253.018g/mol
Monoisotopic Mass	251.94g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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