AG00BCYF

2252-45-1 | 3-(TRIFLUOROMETHYLTHIO)BROMOBENZENE

AG00BCYF

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CAS Number	2252-45-1
Catalog Number	AG00BCYF(AGN-PC-0KK7RO)
Chemical Name	3-(TRIFLUOROMETHYLTHIO)BROMOBENZENE
IUPAC Name	1-bromo-3-(trifluoromethylsulfanyl)benzene
InChI	InChI=1S/C7H4BrF3S/c8-5-2-1-3-6(4-5)12-7(9,10)11/h1-4H
InChI Key	OLHXBVBNFOHXOB-UHFFFAOYSA-N
MDL Number	MFCD00236348
Molecular Formula	C7H4BrF3S
Molecular Weight	257.0709
SMILES	FC(SC1=CC=CC(Br)=C1)(F)F
Synonyms	2252-45-1, (3-Bromophenyl)(trifluoromethyl)sulfane, 3-(TRIFLUOROMETHYLTHIO)BROMOBENZENE, 3-Bromophenyl trifluoromethyl sulfide, 3-trifluoromethylthio-1-bromobenzene, 3-trifluoromethylmercaptobromobenzene, 3-bromophenyl trifluoromethyl sulphide, 1-bromo-3-trifluoromethylsulfanyl-benzene, 1-bromo-3-[(trifluoromethyl)sulfanyl]benzene, Benzene, 1-bromo-3-[(trifluoromethyl)thio]-, 1-bromo-3-trifluoromethylthiobenzene, MFCD00236348, AK-79372, Benzene,1-bromo-3-[(trifluoromethyl)thio]-, PubChem16869, Intermediates-ZCF02604, AC1MC5F0, AC1Q4KJ4, SCHEMBL1335305, CTK4E9643, DTXSID40371307, OLHXBVBNFOHXOB-UHFFFAOYSA-N, 3-Bromophenyl trifluoromethylsulfide, KS-00000NC3, ZINC2560237, ZX-AP008764, 3-[Trifluoromethyl)thio]bromobenzene, BBL101393, PC3886, SBB101814, STL555189, AKOS005258333, 3-bromo-1-(trifluoromethylthio)benzene, 3-bromophenyltrifluoromethylsulphide98%, AS05751, CM12324, FCH1319827, LS10091, VZ26513, (Trifluoromethyl)(3-bromophenyl) sulfide, AJ-40525, BC004165, CC-14534, DS-17650, SC-58076, 1-bromo-3-(trifluoromethylsulfanyl)benzene, DB-011233, FT-0634167, ST24034335, A11672, S-8038, C-15970, I01-7495, 3- BROMOBENZENE, ZINC02560237, CID2736361,

Complexity	148
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	6.1
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P411+P235-P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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