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1001-55-4

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Basic Information
CAS No.: 1001-55-4
Name: Acetic acid cyanomethyl ester
Molecular Structure:
Molecular Structure of 1001-55-4 (Acetic acid cyanomethyl ester)
Formula: C4H5 N O2
Molecular Weight: 99.0892
Synonyms: Acetonitrile,(acetyloxy)- (9CI); Glycolonitrile, acetate (7CI); Glycolonitrile, acetate(ester) (8CI); 2-Acetoxyacetonitrile; Acetoxyacetonitrile; Acetoxymethylcyanide; Cyanomethyl acetate; NSC 71942
Density: 1.083g/cm3
Melting Point: -22.4°C
Boiling Point: 164°C at 760 mmHg
Flash Point: 61.7°C
Safety: A poison by skin contact, ingestion, and inhalation. A skin and severe eye irritant. When heated to decomposition it emits very toxic fumes of NOx and CN−. See also NITRILES.
PSA: 50.09000
LogP: 0.07308
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Chemistry

Product Name: Cyanomethyl acetate (CAS NO.1001-55-4)


Molecular Formula: C4H5NO2
Molecular Weight: 99.10g/mol
Mol File: 1001-55-4.mol
Boiling point: 164 °C at 760 mmHg
Flash Point: 61.7 °C
Surface Tension: 36.2 dyne/cm
Enthalpy of Vaporization: 40.06 kJ/mol
Vapour Pressure: 2 mmHg at 25°C
XLogP3-AA: -0.1
H-Bond Donor: 0
H-Bond Acceptor: 3
Structure Descriptors of Cyanomethyl acetate (CAS NO.1001-55-4):
  IUPAC Name: cyanomethyl acetate
  Canonical SMILES: CC(=O)OCC#N
  InChI: InChI=1S/C4H5NO2/c1-4(6)7-3-2-5/h3H2,1H3 
  InChIKey: AJEHNBIPLQJTNU-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

skn-rbt 10 mg/24H open

     JIHTAB    Journal of Industrial Hygiene and Toxicology. 30 (1948),63.
2.    

eye-rbt 20 mg open SEV

     JIHTAB    Journal of Industrial Hygiene and Toxicology. 30 (1948),63.
3.    

orl-rat LD50:32 mg/kg

     JIHTAB    Journal of Industrial Hygiene and Toxicology. 30 (1948),63.
4.    

ihl-rat LCLo:16 ppm/4H

     JIHTAB    Journal of Industrial Hygiene and Toxicology. 31 (1949),343.
5.    

skn-rbt LD50:43 mg/kg

     JIHTAB    Journal of Industrial Hygiene and Toxicology. 30 (1948),63.

Consensus Reports

Cyanide and its compounds are on the Community Right-To-Know List.

Safety Profile

A poison by skin contact, ingestion, and inhalation. A skin and severe eye irritant. When heated to decomposition it emits very toxic fumes of NOx and CN−. See also NITRILES.

Specification

 Cyanomethyl acetate ,its CAS NO. is 1001-55-4,the synonyms is 2-Acetoxyacetonitrile ; 3-03-00-00401 (Beilstein Handbook Reference) ; Acetic acid cyanomethyl ester ; Acetonitrile, (acetyloxy)- ; Acetyloxyacetonitrile ; BRN 1745113 ; Glycolonitrile, acetate ; HSDB 2124 ; Kyanmethylester kyseliny octove ; NSC 71942 .