1-Bromo-2-(trifluoromethoxy)ethane - CAS 1645-93-8

Catalog:	BB012121
Product Name:	1-Bromo-2-(trifluoromethoxy)ethane
CAS:	1645-93-8
Synonyms:	1-bromo-2-(trifluoromethoxy)ethane

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-bromo-2-(trifluoromethoxy)ethane
Description:	1-Bromo-2-(trifluoromethoxy)ethane (CAS# 1645-93-8) is used as a reactant in the preparation of non-fused tricyclic compounds for treatment of cancer.
Molecular Weight:	192.96
Molecular Formula:	C3H4BrF3O
Canonical SMILES:	C(CBr)OC(F)(F)F
InChI:	InChI=1S/C3H4BrF3O/c4-1-2-8-3(5,6)7/h1-2H2
InChI Key:	YLLDCQMJIXHFQZ-UHFFFAOYSA-N
Appearance:	Liquid
LogP:	1.91770

Publication Number	Title	Priority Date
WO-2021127499-A1	Protein tyrosine phosphatase inhibitors and methods of use thereof	20191218
US-2021107889-A1	2-azaspiro[3.4]octane derivatives as m4 agonists	20191009
WO-2021070090-A1	2-azaspiro[3.4]octane derivatives as m4 agonists	20191009
WO-2020021447-A1	Nlrp3 inflammasome inhibitors	20180725
AU-2019309727-A1	NLRP3 inflammasome inhibitors	20180725

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Related Functional Groups

Fluorinated Building Blocks

[1427357-61-6]
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
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1,2,3,5-Tetrafluorobenzene
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2,5-Dichloro-4-fluorobenzoic acid
[151585-93-2]
2-Amino-6-fluorobenzaldehyde
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile

Halides

[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[932890-93-2]
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[111-85-3]
1-Chlorooctane
[199114-62-0]
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one
[56517-33-0]
2-Bromo-4-isopropoxy-5-methoxybenzaldehyde
[1354706-05-0]
3-Bromo-1-ethyl-5-methyl-1H-pyrazole

Other Pyrimidines

[351-28-0]
3'-Fluoroacetanilide
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[551-62-2]
1,2,3,4-Tetrafluorobenzene
[1160246-50-3]
2-((4-(P-Tolyl)-6-(trifluoromethyl)pyrimidin-2-yl)oxy)ethanamine
[45867-11-6]
2-Amino-5-chloro-4-pyrimidinecarboxylic acid
[944580-98-7]
8-(Trifluoromethyl)imidazo[1,2-a]pyridine

GHS Hazard Statement:	H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	62
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.93976
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	191.93976
Rotatable Bond Count:	2
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2