(Formyloxy)acetonitrile

HCID 4205685

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 150760-95-5
Standard SMILES: N#CCOC=O
InChIKey: ZFLAEHBSVFWEHW-UHFFFAOYSA-N
Molecular formula: C3H3NO2
Average molar mass: 85.06 g/mol
Monoisotopic mass: 85.01637834

Names & identifiers

Preferred name: (Formyloxy)acetonitrile
IUPAC: cyanomethyl formate
English name: CYANOMETHYL FORMATE
Molecular formula: C3H3NO2
Molecular weight: 85.06

Names & synonyms

(Formyloxy)acetonitrileRefChem:406491621-292-1Cyanomethyl formate150760-95-5CYANOMETHYLFORMATEFormic Acid Cyanomethyl EsterMFCD00661077Acetonitrile, 2-(formyloxy)-Cyanomethyl Formate [Formylating Reagent](Formyloxy)acetonitrile, 99%SCHEMBL1178971

Show more names

FORMIC ACID CYANOMETHYL ESTER 98+%CyanomethylFormate[FormylatingReagent]>Cyanomethyl Formate [Formylating Reagent]

SCHEMBL2589974SCHEMBL5510652DTXSID70400831AKOS015913061AS-59430SY052732DB-254295CS-0181845

Database identifiers

CAS: 150760-95-5
PubChem CID: 4205685
DTXSID: DTXSID70400831
EC Number: 621-292-1
Nikkaji: J814.769H

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 50.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 6
Formal charge: 0
Complexity: 80

Physicochemical properties

Boiling point: 173 °C · 173 °C(lit.)
Density: 1.187 g/mL · 1.187 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.407(lit.)
Flash point: 180 °F · 180 °F
storage temp.: 2 · 2-8°C
form: clear liquid
color: Colorless to Almost colorless
BRN: 1741714 · 1741714
CAS DataBase Reference: 150760 · 150760-95-5
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 280 · P280
Hazard Codes: Xn
Risk Statements: 20 · 20/21/22
Safety Statements: 36 · 36
RIDADR: 1993 · NA 1993 / PGIII
WGK Germany: 3 · 3
F: 10 · 10-21
HS Code: 2926.9 · 2926.90.5050

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.