2,2,2-Trifluoroethylhydrazine solution - CAS 5042-30-8

Catalog:	BB027049
Product Name:	2,2,2-Trifluoroethylhydrazine solution
CAS:	5042-30-8
Synonyms:	2,2,2-trifluoroethylhydrazine

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Computed Properties

IUPAC Name:	2,2,2-trifluoroethylhydrazine
Description:	2,2,2-Trifluoroethylhydrazine solution (CAS# 5042-30-8) is a useful research chemical.
Molecular Weight:	114.07
Molecular Formula:	C2H5F3N2
Canonical SMILES:	C(C(F)(F)F)NN
InChI:	InChI=1S/C2H5F3N2/c3-2(4,5)1-7-6/h7H,1,6H2
InChI Key:	OPMFFAOEPFATTG-UHFFFAOYSA-N
Boiling Point:	83.1 °C at 760 mmHg
Density:	1.261 g/cm³
MDL:	MFCD00007622
LogP:	1.10320

Publication Number	Title	Priority Date
WO-2015187542-A1	Histone deacetylase inhibitors and compositions and methods of use thereof	20140602
US-2015246923-A1	9h-pyrimido[4,5-b]indoles and related analogs as bet bromodomain inhibitors	20140228
WO-2015131005-A1	9h-pyrimido[4,5-b]indoles and related analogs as bet bromodomain inhibitors	20140228
EP-2886545-A1	New thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them	20131223
US-2015175623-A1	Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them	20131223

PMID	Publication Date	Title	Journal
21319300	20110301	Simple and automatic determination of aldehydes and acetone in water by headspace solid-phase microextraction and gas chromatography-mass spectrometry	Journal of separation science
19800854	20091101	Determination of malondialdehyde in human blood by headspace-solid phase micro-extraction gas chromatography-mass spectrometry after derivatization with 2,2,2-trifluoroethylhydrazine	Journal of chromatography. B, Analytical technologies in the biomedical and life sciences

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GHS Hazard Statement:	H228 (92.68%): Flammable solid [Danger Flammable solids]
Precautionary Statement:	P210, P240, P241, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P370+P378, and P501
Signal Word:	Warning

Complexity:	49.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	114.04048265
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	114.04048265
Rotatable Bond Count:	1
Topological Polar Surface Area:	38 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2