AG00I7VP

40161-54-4 | Benzene, 1-bromo-2-fluoro-4-(trifluoromethyl)-

AG00I7VP

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CAS Number	40161-54-4
Catalog Number	AG00I7VP(AGN-PC-0JMSLZ)
Chemical Name	Benzene, 1-bromo-2-fluoro-4-(trifluoromethyl)-
IUPAC Name	1-bromo-2-fluoro-4-(trifluoromethyl)benzene
InChI	InChI=1S/C7H3BrF4/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H
InChI Key	XCTQZIUCYJVRLJ-UHFFFAOYSA-N
MDL Number	MFCD00042497
Molecular Formula	C7H3BrF4
Molecular Weight	242.9963
SMILES	FC(C1=CC=C(Br)C(F)=C1)(F)F
Synonyms	4-Bromo-3-fluorobenzotrifluoride, 40161-54-4, 1-bromo-2-fluoro-4-(trifluoromethyl)benzene, 2-Fluoro-4-(trifluoromethyl)bromobenzene, Benzene, 1-bromo-2-fluoro-4-(trifluoromethyl)-, 3-fluoro-4-bromobenzotrifluoride, MFCD00042497, 2-FLUORO-4-TRIFLUOROMETHYLBROMOBENZNE, XCTQZIUCYJVRLJ-UHFFFAOYSA-N, AK-53803, PubChem1642, AC1L3L2O, SCHEMBL607667, CTK5I7741, KS-00000EZT, DTXSID70193170, PC1423A, 4-bromo-3-fluoro benzotrifluoride, ACT01077, JRD-0216, ZINC2584344, ZX-AP003630, ANW-46954, BBL101688, SBB099655, STL555484, 2-fluoro-4-trifluoromethylbromobenzene, AKOS005258448, AC-4116, AM61508, AS01734, CM13210, CS-W012758, FCH1320872, LF10093, PS-7546, RTR-036715, VF10006, WT82189, AJ-43414, AN-12311, BC002198, BR-53803, CC-18341, I331, SC-46040, SY013908, 1-Bromo-2-fluoro-4-trifluoromethyl-benzene, AB0013627, AB1010771, AX8010154, TC-065457, TL8002904, A6713, B3783, FT-0617820, ST24032201, ST50408600, 4-Bromo-3-fluorobenzotrifluoride, AldrichCPR, MFCD00042497 (95%), 4-Bromo-alpha,alpha,alpha,3-tetrafluorotoluene, B-2227, 133337-EP2277874A1, 133337-EP2295406A1, 161B544, 3-FLUORO-4-BROMO-(TRIFLUOROMETHYL)BENZENE, C-14679, I01-0738, I01-7799, 1-Bromo-2-fluoro-4-(trifluoromethyl)benzene; 4-Bromo-|A,|A,|A,3-tetrafluorotoluene, C7H3BrF4, CID142414, ACN-046808, 4-BENZYLOXYCARBONYLAMINO-PIPERIDINE-HCl, 4-Bromo-3-fluorobenzotrifluoride, 98% - 25G 25g, 182223-54-7,

Complexity	156
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.935g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	242.999g/mol
Monoisotopic Mass	241.935g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number