AG00C0B1

333-47-1 | 1-Bromo-4-trifluoromethylthiobenzene

AG00C0B1

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CAS Number	333-47-1
Catalog Number	AG00C0B1(AGN-PC-0JVOCV)
Chemical Name	1-Bromo-4-trifluoromethylthiobenzene
IUPAC Name	1-bromo-4-(trifluoromethylsulfanyl)benzene
InChI	InChI=1S/C7H4BrF3S/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H
InChI Key	CQQBVMXLTBXNLB-UHFFFAOYSA-N
MDL Number	MFCD00040840
Molecular Formula	C7H4BrF3S
Molecular Weight	257.0709
SMILES	FC(SC1=CC=C(Br)C=C1)(F)F
Synonyms	333-47-1, 4-(Trifluoromethylthio)bromobenzene, 4-Bromophenyl trifluoromethyl sulfide, 4-Bromophenyl trifluoromethyl sulphide, 1-Bromo-4-(Trifluoromethylthio)Benzene, 1-Bromo-4-[(Trifluoromethyl)Sulfanyl]Benzene, 1-Bromo-4-trifluoromethylthiobenzene, (4-BROMOPHENYL)(TRIFLUOROMETHYL)SULFANE, 1-Bromo-4-[(trifluoromethyl)thio]benzene, MFCD00040840, 4-bromo-1-(trifluoromethylthio)benzene, 1-bromo-4-(trifluoromethylsulfanyl)benzene, Benzene, 1-bromo-4-[(trifluoromethyl)thio]-, 4-bromophenyl trifluoromethylsulfide, AC1LEI2I, ACMC-209i0j, AC1Q4KJ5, SCHEMBL381447, AC1Q269X, CTK3J6188, DTXSID10353019, CQQBVMXLTBXNLB-UHFFFAOYSA-N, ZINC158098, p-bromophenyl trifluoromethyl sulfide, trifluoromethyl p-bromophenyl sulfide, ANW-27617, BBL103011, SBB101815, STL556820, 4-[(Trifluoromethyl)thio]bromobenzene, (Trifluoromethyl)4-bromophenyl sulfide, AKOS005255433, AM62335, AS02455, CM12325, MCULE-9514739006, RTR-013969, TRA0050062, 4-(Trifluoromethylthio)bromobenzene, 96%, P-(TRIFLUOROMETHYLTHIO)BROMOBENZENE, SC-65261, ZB006824, P-BROMOPHENYL TRIFLUORO METHYLULFIDE, S-TRIFLUOROMETHYL 4-BROMOTHIOPHENOL, AB0021016, TR-013969, FT-0607495, ST50306932, V2156, KS-00001067, C-5423, I01-7494, J-019156, I14-29579, 4- BROMOBENZENE, C7H4BrF3S, 4-trifluoromethylthio-1-bromobenzene, AR-1G1336, CID736413, ZINC00158098, ACN-055908, 1-Bromo-4-trifluoromethylsulfanyl-benzene, 4-(Trifluoromethylthio)bromobenzene, 97% - 1G 1g, 33538-95-3,

Complexity	140
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	255.917g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	257.068g/mol
Monoisotopic Mass	255.917g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	25.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H225-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P210-P261-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

Lot Number