453579
(Formyloxy)acetonitrile
99%
Synonym(s):
Cyanomethyl formate
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About This Item
Linear Formula:
HCOOCH2CN
CAS Number:
Molecular Weight:
85.06
Beilstein:
1741714
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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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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Signal Word
Warning
Hazard Statements
Precautionary Statements
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
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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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