AG001RBE

159689-88-0 | Benzene, 1-(bromomethyl)-3-(trifluoromethoxy)-

AG001RBE

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CAS Number	159689-88-0
Catalog Number	AG001RBE(AGN-PC-0JVOPJ)
Chemical Name	Benzene, 1-(bromomethyl)-3-(trifluoromethoxy)-
IUPAC Name	1-(bromomethyl)-3-(trifluoromethoxy)benzene
InChI	InChI=1S/C8H6BrF3O/c9-5-6-2-1-3-7(4-6)13-8(10,11)12/h1-4H,5H2
InChI Key	QSIVWRRHVXSDNE-UHFFFAOYSA-N
MDL Number	MFCD00061271
Molecular Formula	C8H6BrF3O
Molecular Weight	255.0318
SMILES	O(C(F)(F)F)c1cc(CBr)ccc1
Synonyms	3-(Trifluoromethoxy)benzyl bromide, 159689-88-0, 1-(bromomethyl)-3-(trifluoromethoxy)benzene, 3-Trifluoromethoxybenzyl bromide, alpha-Bromo-3-(trifluoromethoxy)toluene, 3-Trifluoromethoxy Benzyl bromide, 3-(trifluoromethoxy)benzylbromide, m-(trifluoromethoxy)benzyl bromide, QSIVWRRHVXSDNE-UHFFFAOYSA-N, Benzene, 1-(bromomethyl)-3-(trifluoromethoxy)-, MFCD00061271, [3-(bromomethyl)phenoxy]trifluoromethane, 1-bromomethyl-3-trifluoromethoxy-benzene, fxffor c1e, PubChem4686, AC1LEJRP, AC1Q4KDZ, ACMC-1BYP8, AC1Q4KH4, SCHEMBL77358, KSC495E3B, 3-trifluoromethoxybenzylbromide, 3-trifluoromethoxy-benzylbromide, CTK3J5230, KS-00000ZFS, DTXSID20353181, ZINC164862, 3-(trifluoromethoxy) benzyl bromide, ACT00894, JRD-0096, ANW-21842, BBL011043, SBB101527, STK802211, AKOS005257302, AM62171, AS00695, CS-W016723, MCULE-6587234050, NF10302, RTR-006762, TRA0041565, VZ26131, 3-(Trifluoromethoxy)benzyl bromide, 97%, AC-13857, AJ-16305, AN-31106, AS-45852, BC002804, I250, ZB008340, AB0013575, AB1003558, DB-006257, ST2415061, TR-006762, FT-0613907, ST51040080, 1-(bromomethyl)-3-(trifluoromethoxy)-benzene, 1-(bromomethyl)-3-(trifluoromethyloxy)benzene, B-7364, 66554-EP2272817A1, 66554-EP2308851A1, A810057, I01-3236, J-009631, 3,5-Dimethoxybenzyl chloride, 1-(Chloromethyl)-3,5-dimethoxybenzene, AR-1J1081, CID737176, ZINC00164862, 5-(chloromethyl)-1,3-dimethoxybenzene, PYRIMIDINE, 2-CHLORO-5-FLUORO-, T2730, 3-(Trifluoromethoxy)benzyl bromide, 97% - 1G 1g, 50824-05-0, 62802-42-0, 6294-39-9,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.955g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	255.034g/mol
Monoisotopic Mass	253.955g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H314
Precuationary statements	P280-P305+P351+P338-P310
Siginal words

Certificate of Analysis

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