2-Bromoethyl Trifluoromethanesulfonate - CAS 103935-47-3

Catalog:	BB001264
Product Name:	2-Bromoethyl Trifluoromethanesulfonate
CAS:	103935-47-3
Synonyms:	trifluoromethanesulfonic acid 2-bromoethyl ester; 2-bromoethyl trifluoromethanesulfonate

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2-bromoethyl trifluoromethanesulfonate
Description:	2-Bromoethyl Trifluoromethanesulfonate (CAS# 103935-47-3) is a useful research chemical.
Molecular Weight:	257.03
Molecular Formula:	C3H4BrF3O3S
Canonical SMILES:	C(CBr)OS(=O)(=O)C(F)(F)F
InChI:	InChI=1S/C3H4BrF3O3S/c4-1-2-10-11(8,9)3(5,6)7/h1-2H2
InChI Key:	KENPFZUYYWVXNW-UHFFFAOYSA-N
Boiling Point:	188.733 °C at 760 mmHg
Density:	1.904 g/cm³
Storage:	Inert atmosphere, 2-8 °C
LogP:	2.32830

Publication Number	Title	Priority Date
WO-2021211922-A1	Spiro-sulfonimidamide derivatives as inhibitors of myeloid cell leukemia-1 (mcl-1) protein	20200416
CN-113490670-A	Nitrogen-containing polycyclic fused ring compound, and pharmaceutical composition, preparation method and application thereof	20190805
US-2020148705-A1	Spiro-Sulfonamide Derivatives As Inhibitors Of Myeloid Cell Leukemia-1 (MCL-1) Protein	20181109
CN-113166173-A	Spiro-sulfonamide derivatives as inhibitors of myeloid leukemia 1(MCL-1) protein	20181109
KR-20210089662-A	Spiro-sulfonamide derivatives as inhibitors of myeloid cell leukemia-1 (MCL-1) protein	20181109

PMID	Publication Date	Title	Journal
21932836	20111118	Fifty years of diazeniumdiolate research. From laboratory curiosity to broad-spectrum biomedical advances	ACS chemical biology
19804977	20091101	New approach for the synthesis of [18F]fluoroethyltyrosine for cancer imaging: simple, fast, and high yielding automated synthesis	Bioorganic & medicinal chemistry
18819809	20081015	Simplified fast and high yielding automated synthesis of [18F]fluoroethylcholine for prostate cancer imaging	Bioorganic & medicinal chemistry
15878511	20050501	Synthesis, enantiomeric resolution, F-18 labeling and biodistribution of reboxetine analogs: promising radioligands for imaging the norepinephrine transporter with positron emission tomography	Nuclear medicine and biology
12201139	20020901	Development of an automated system for synthesizing 18F-labeled compounds using [18F]fluoroethyl bromide as a synthetic precursor	Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine

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Related Functional Groups

Carbonyl Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

GHS Hazard Statement:	H227 (50%): Combustible liquid [Warning Flammable liquids]
Precautionary Statement:	P210, P260, P261, P264, P270, P271, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P361, P363, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	203
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	255.90166
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	255.90166
Rotatable Bond Count:	3
Topological Polar Surface Area:	51.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6