2,2,2-trifluoroethyl formate - CAS 32042-38-9

Name: 2,2,2-trifluoroethyl formate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB021138
Product Name:	2,2,2-trifluoroethyl formate
CAS:	32042-38-9
Synonyms:	Lisinopril Impurity 12

Technical Data

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Literatures

Computed Properties

IUPAC Name:	2,2,2-trifluoroethyl formate
Description:	Lisinopril Impurity 12 (2,2,2-trifluoroethyl formate) is an impurity of Lisinopril, a medication of the angiotensin-converting enzyme inhibitor class that is used to treat high blood pressure.
Molecular Weight:	128.05
Molecular Formula:	C3H3F3O2
Canonical SMILES:	C(C(F)(F)F)OC=O
InChI:	InChI=1S/C3H3F3O2/c4-3(5,6)1-8-2-7/h2H,1H2
InChI Key:	CAFROQYMUICGNO-UHFFFAOYSA-N
Boiling Point:	60 °C
Melting Point:	27 °C
Purity:	97 % (HPLC)
Density:	1.317 g/mL at 25°C
Appearance:	Oil
Storage:	Store at -20 °C
MDL:	MFCD06797733
LogP:	1.35760

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

GHS Hazard Statement:	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

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PMID	Publication Date	Title	Journal
21732615	20110804	Chirped pulse Fourier transform microwave study of 2,2,2-trifluoroethyl formate	The journal of physical chemistry. A
21715271	20110701	Flavonoids of Enhydra Fluctuans exhibits analgesic and anti-inflammatory activity in different animal models	Pakistan journal of pharmaceutical sciences
16194128	20060101	A TRIR, TREPR and computational study on the reactivity and structure of the 2,2,2-trifluoroethoxycarbonyl radical	Photochemistry and photobiology
12353990	20021004	Reactions of enols of amides with diazomethane	The Journal of organic chemistry
11772103	20020110	2,2,2-trifluoroethyl formate: a versatile and selective reagent for the formylation of alcohols, amines, and N-hydroxylamines	Organic letters

Complexity:	77.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.00851382
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	128.00851382
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2