Trifluoroacetaldehyde hydrate

CAT: 0127-PC7130-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-PC7130-01Size:5 g

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CAS Number

33953-86-5

Synonyms

Fluoral hydrate

MDL Number

MFCD00167359

Purity

=95%

Smiles

O.FC(F)(F)C=O

Notes

65-75% in water. A stable source of trifluoroacetaldehyde. Add the product dropwise to PPA @ 150-180C - distill off & react at once.

Chemical Information

2,2,2-Trifluoroacetaldehyde hydrate

CAS Number	33953-86-5
PubChem CID	2781366
IUPAC Name	2,2,2-trifluoroacetaldehyde;hydrate
Molecular Formula	C2H3F3O2
Molecular Weight	116.04
Topological Polar Surface Area	18.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	54

SMILES

C(=O)C(F)(F)F.O

InChI

InChI=1S/C2HF3O.H2O/c3-2(4,5)1-6;/h1H;1H2

InChIKey

INDFRFZGABIRRW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 33953-86-5

CID: 2781366

Formula: C2H3F3O2

MW: 116.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	116.04
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	116.00851382
Monoisotopic Mass	116.00851382
Topological Polar Surface Area	18.1 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	54.3
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
PC108288	Trifluoroacetaldehyde diethyl acetal
PC7120	Trifluoroacetaldehyde ethyl hemiacetal
PC7140-01	Trifluoroacetaldehyde methyl hemiacetal
PC6368-01	Trifluoroacetaldehyde dimethyl acetal
PC105151-01	2,2,2-Trifluoroacetaldehyde
OR1078361-01	Ceftibuten Hydrate
BUP21344-01	Oxypeucedanin hydrate
OR1023857-01	Ko143 Hydrate
OR1077625	Rutin Hydrate
OR1014570-01	Palatinose Hydrate

Catalog	Name
T22625	Trifluoroacetaldehyde hydrate Tech. Grade
sc-280152	Trifluoroacetaldehyde, solution
TRC-T780100-5G	Trifluoroacetaldehyde Ethyl Hemiacetal
FT84725-01	Trifluoroacetaldehyde methyl hemiacetal
T22635-01	Trifluoroacetaldehyde hemimethylacetal 90%
FT77375-01	Trifluoroacetaldehyde - ~70% aqueous solution
TRC-N661315-2.5MG	Norbuprenorphine N-2,2,2-Trifluoroacetaldehyde
460892-01	Norbuprenorphine N-2,2,2-Trifluoroacetaldehyde discontinued
TRC-T780000-5G	2,2,2-Trifluoroacetaldehyde (~70% in aqueous solution) Monohydrate
TRC-T780000-1G	2,2,2-Trifluoroacetaldehyde (72% in aqueous solution) Monohydrate