AG008TQH

103935-47-3 | 2-Bromoethyl trifluoromethanesulphonate

AG008TQH

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CAS Number	103935-47-3
Catalog Number	AG008TQH(AGN-PC-0NCW0X)
Chemical Name	2-Bromoethyl trifluoromethanesulphonate
IUPAC Name	2-bromoethyl trifluoromethanesulfonate
InChI	InChI=1S/C3H4BrF3O3S/c4-1-2-10-11(8,9)3(5,6)7/h1-2H2
InChI Key	KENPFZUYYWVXNW-UHFFFAOYSA-N
MDL Number	MFCD11656439
Molecular Formula	C3H4BrF3O3S
Molecular Weight	257.0263
SMILES	FC(F)(F)S(=O)(=O)OCCBr
Synonyms	2-bromoethyl trifluoromethanesulfonate, 103935-47-3, bromoethyltriflate, Trifluoromethanesulfonic acid 2-bromoethyl ester, Methanesulfonic acid, trifluoro-, 2-bromoethyl ester, 2-bromoethyltriflate, 2-Bromoethyl triflate, 2-Bromoethyl trifluoromethanesulphonate, ACMC-20m6qb, C3H4BrF3O3S, SCHEMBL132592, CTK0G6716, DTXSID20448501, KENPFZUYYWVXNW-UHFFFAOYSA-N, ZX-AP011787, 0925AA, MFCD11656439, AKOS016008966, ZINC100044239, FCH1405785, PC57000, AK110814, AS-44422, DA-48152, SY037369, FT-0728930, MFCD11656439 (95%), CID10923169, 1-bromo-2-(trifluoromethylsulfonyloxy)ethane,

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	255.902g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	257.021g/mol
Monoisotopic Mass	255.902g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	51.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1(8)
Hazard statements	H301+H311+H331-H314
Packing Group	Ⅱ
Precautionary statements	P261-P280-P305+P351+P338-P310
UN Code	UN 2927

Certificate of Analysis

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