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453579

Sigma-Aldrich

(Formyloxy)acetonitrile

99%

Synonym(s):

Cyanomethyl formate

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About This Item

Linear Formula:
HCOOCH2CN
CAS Number:
150760-95-5
Molecular Weight:
85.06
Beilstein:
1741714
MDL number:
MFCD00661077
UNSPSC Code:
12352100
PubChem Substance ID:
24868826
NACRES:
NA.22

Assay

99%

refractive index

n20/D 1.407 (lit.)

bp

173 °C (lit.)

density

1.187 g/mL at 25 °C (lit.)

SMILES string

[H]C(=O)OCC#N

InChI

1S/C3H3NO2/c4-1-2-6-3-5/h3H,2H2

InChI key

ZFLAEHBSVFWEHW-UHFFFAOYSA-N

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Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302 + H312 + H332

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

179.6 °F - closed cup

Flash Point(C)

82 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Formyloxy-acetonitrile-a reagent for convenient N-and O-formylations.
Deutsch J, et al.
J. Prakt. Chem./Chem.-Ztg., 338(1), 488-490 (1996)
UV-Induced Rotamerization and Vibrational Spectra of the Conformers of Cyanomethyl Formate: Matrix Isolation Infrared and ab Initio Studies.
Dahlqvist M, et al.
The Journal of Physical Chemistry A, 101(7), 1260-1266 (1997)
A convenient procedure for the formylation of amines and alcohols using cyanomethyl formate.
Deutsch J and Niclas H-J.
Synthetic Communications, 23(11), 1561-1568 (1993)

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