-
Name
Acetic acid cyanomethyl ester
- EINECS
- CAS No. 1001-55-4
- Density 1.083g/cm3
- Solubility
- Melting Point -22.4°C
- Formula C4H5 N O2
- Boiling Point 164°C at 760 mmHg
- Molecular Weight 99.0892
- Flash Point 61.7°C
- Transport Information
- Appearance
- 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.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Acetonitrile,(acetyloxy)- (9CI); Glycolonitrile, acetate (7CI); Glycolonitrile, acetate(ester) (8CI); 2-Acetoxyacetonitrile; Acetoxyacetonitrile; Acetoxymethylcyanide; Cyanomethyl acetate; NSC 71942
- PSA 50.09000
- LogP 0.07308
Cyanomethyl acetate Chemical Properties
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
Cyanomethyl acetate 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. |
Cyanomethyl acetate Consensus Reports
Cyanide and its compounds are on the Community Right-To-Know List.
Cyanomethyl acetate 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.
Cyanomethyl acetate 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 .
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