AG00C7FK

33953-86-5 | 2,2,2-Trifluoroacetaldehyde hydrate

AG00C7FK

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CAS Number	33953-86-5
Catalog Number	AG00C7FK(AGN-PC-0R9FMU)
Chemical Name	2,2,2-Trifluoroacetaldehyde hydrate
IUPAC Name	2,2,2-trifluoroacetaldehyde;hydrate
InChI	InChI=1S/C2HF3O.H2O/c3-2(4,5)1-6;/h1H;1H2
InChI Key	INDFRFZGABIRRW-UHFFFAOYSA-N
MDL Number	MFCD00042444
Molecular Formula	C2H3F3O2
Molecular Weight	116.0392
SMILES	O=CC(F)(F)F.[H]O[H]
Synonyms	2,2,2-Trifluoroacetaldehyde hydrate, 33953-86-5, Trifluoracetaldehyde monohydrate, Trifluoroacetaldehyde monohydrate, 72% aqueous solution, Acetaldehyde,2,2,2-trifluoro-, hydrate (1:1), AC1MCZVX, SCHEMBL600667, C2H3F3O2, CTK4H1517, DTXSID30381793, INDFRFZGABIRRW-UHFFFAOYSA-N, TRIFLUOROACETALDEHYDE, HYDRATE, AKOS017344646, FS-3817, RP00626, 2,2,2-trifluoroacetaldehyde monohydrate, SC-13064, SC-50081, AB0041083, Y8784, K-7790, F0001-1177, Trifluoracetaldehyde monohydrate, technical, ~75% in H2O, 2,2,2-Trifluoro-1,1-ethanediol (contains Total ca. 25% Water), Fluoral hydrate, Trifluoroacetaldehyde hydrate, MFCD00167359, 1,1-Ethanediol, 2,2,2-trifluoro-, 2,2,2-Trifluoro-acetaldehyde hydrate, CID2781366, 421-53-4, TRIFLUOROACETALDEHYDE HYDRATE, 75% AQ. SOL., 75-90-1,

Complexity	54.3
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	116.009g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	116.039g/mol
Monoisotopic Mass	116.009g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	18.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H225-H302-H315-H317-H319-H335
Packing Group	Ⅱ
Precautionary statements	P210-P261-P280-P305+P351+P338
UN Code	UN 1989

Certificate of Analysis

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