AG002L41

21101-63-3 | Benzene, 1-(bromomethyl)-4-[(trifluoromethyl)thio]-

AG002L41

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CAS Number	21101-63-3
Catalog Number	AG002L41(AGN-PC-0KKYJA)
Chemical Name	Benzene, 1-(bromomethyl)-4-[(trifluoromethyl)thio]-
IUPAC Name	1-(bromomethyl)-4-(trifluoromethylsulfanyl)benzene
InChI	InChI=1S/C8H6BrF3S/c9-5-6-1-3-7(4-2-6)13-8(10,11)12/h1-4H,5H2
InChI Key	VAYGJBCOCRVROJ-UHFFFAOYSA-N
MDL Number	MFCD00129189
Molecular Formula	C8H6BrF3S
Molecular Weight	271.0974
SMILES	FC(F)(F)SC1=CC=C(C=C1)CBr
Synonyms	21101-63-3, 4-(Trifluoromethylthio)benzyl bromide, (4-(Bromomethyl)phenyl)(trifluoromethyl)sulfane, 4-(Trifluoromethylthio)benzylbromide, Benzene, 1-(bromomethyl)-4-[(trifluoromethyl)thio]-, 1-(bromomethyl)-4-(trifluoromethylsulfanyl)benzene, MFCD00129189, alpha-Bromo-4-(trifluoromethylthio)toluene, 1-Bromomethyl-4-trifluoromethylsulfanyl-benzene, Benzene,1-(bromomethyl)-4-[(trifluoromethyl)thio]-, 1-(bromomethyl)-4-[(trifluoromethyl)sulfanyl]benzene, AC1MCS1Q, ACMC-1COE0, SCHEMBL697792, CTK4E5873, DTXSID40380696, VAYGJBCOCRVROJ-UHFFFAOYSA-N, 4-trifluoromethylthiobenzyl bromide, ZINC153635, 4(trifluoromethylthio)benzyl bromide, ANW-24344, SBB062024, 4-(trifluoromethylthio) benzyl bromide, AKOS005258330, AM62200, MCULE-4439535460, PS-9951, TRA0055845, alpha-Bromo-4-trifluoromethylthiotoluene, FS000346, ZB005503, [4-(bromomethyl)phenylthio]trifluoromethane, TC-113089, 4-(bromomethyl)phenyl trifluoromethyl sulfide, 4-(Trifluoromethylthio)benzyl bromide, 97%, FT-0616954, 1-Bromomethyl-4-trifluoromethylsulfanylbenzene, KS-00001564, 1-(bromomethyl)-4-(trifluoromethylthio)benzene, A815138, I01-1684, J-013844, 1-(bromomethyl)-4-[(trifluoromethyl)sulphanyl]benzene, 1 - Bromomethyl - 4 - trifluoromethylsulfanyl - benzene, 4- BENZYLBROMIDE, ZINC00153635, CID2777882, T2391, 4-(Trifluoromethylthio)benzyl bromide, 97% - 1G 1g,

Complexity	152
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	269.933g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	271.095g/mol
Monoisotopic Mass	269.933g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	25.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 1759

Certificate of Analysis

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