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106-71-8

Basic Information
CAS No.: 106-71-8
Name: 2-CYANOETHYL ACRYLATE
Molecular Structure:
Molecular Structure of 106-71-8 (2-CYANOETHYL ACRYLATE)
Formula: C6H7 N O2
Molecular Weight: 125.127
Synonyms: Acrylicacid, ester with hydracrylonitrile (7CI,8CI); Hydracrylonitrile, acrylate(ester) (8CI); 2-Cyanoethyl acrylate; 2-Cyanoethyl propenoate; NSC 18593
Density: 1.046g/cm3
Melting Point: -16.8°C
Boiling Point: 232.6°Cat760mmHg
Flash Point: 100.4°C
Solubility: Soluble in water
Risk Codes: 20/21/22-36/37/38
Safety: Poison by ingestion and skin contact. A skin and eye irritant. See also ESTERS and NITRILES. A fire hazard when exposed to heat or flame. When heated to decomposition it emits toxic fumes of NOx and CN.

Analytical Methods:

   

For occupational chemical analysis use OSHA: #ID-55.

PSA: 50.09000
LogP: 0.62928
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Chemistry


IUPAC Name of Acrylic acid ester with hydracrylo-nitrile (CAS NO.106-71-8): 2-cyanoethyl prop-2-enoate 
Molecular Weight: 125.12528 g/mol
Molecular Formula: C6H7NO2
Density: 1.046 g/cm3
Boiling Point: 232.6 °C at 760 mmHg 
Flash Point: 100.4 °C  
Index of Refraction: 1.436
Molar Refractivity: 31.25 cm3
Molar Volume: 119.5 cm3
Polarizability: 12.39*10-24 cm3
Surface Tension: 36 dyne/cm 
Enthalpy of Vaporization: 46.93 kJ/mol
Vapour Pressure: 0.0585 mmHg at 25 °C 
XLogP3: 0.6
H-Bond Acceptor: 3
Rotatable Bond Count: 4
Exact Mass: 125.047678
MonoIsotopic Mass: 125.047678
Topological Polar Surface Area: 50.1
Heavy Atom Count: 9
Complexity: 154
Canonical SMILES: C=CC(=O)OCCC#N
InChI: InChI=1S/C6H7NO2/c1-2-6(8)9-5-3-4-7/h2H,1,3,5H2
InChIKey: AEPWOCLBLLCOGZ-UHFFFAOYSA-N
EINECS: 203-426-7
Product Categories: monomer

Toxicity Data With Reference

1.    

skn-rbt 500 mg open MOD

    UCDS**    Union Carbide Data Sheet. (Industrial Medicine and Toxicology Dept., Union Carbide Corp., 270 Park Ave., New York, NY 10017) 9/27/60 .
2.    

skn-rbt 10 mg/24H open SEV

    AIHAAP    American Industrial Hygiene Association Journal. 23 (1962),95.
3.    

eye-rbt 5 mg MLD

    UCDS**    Union Carbide Data Sheet. (Industrial Medicine and Toxicology Dept., Union Carbide Corp., 270 Park Ave., New York, NY 10017) 9/27/60 .
4.    

orl-rat LD50:180 mg/kg

    UCDS**    Union Carbide Data Sheet. (Industrial Medicine and Toxicology Dept., Union Carbide Corp., 270 Park Ave., New York, NY 10017) 9/27/60 .
5.    

skn-rbt LD50:220 µL/kg

    AIHAAP    American Industrial Hygiene Association Journal. 23 (1962),95.

Consensus Reports

Reported in EPA TSCA Inventory. Cyanide and its compounds are on the Community Right-To-Know List.

Safety Profile

Poison by ingestion and skin contact. A skin and eye irritant. See also ESTERS and NITRILES. A fire hazard when exposed to heat or flame. When heated to decomposition it emits toxic fumes of NOx and CN.
Analytical Methods:
    For occupational chemical analysis use OSHA: #ID-55.
Risk Statements: 20/21/22-36/37/38 
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed 
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36/37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
RIDADR: 3276
RTECS: AT1500000
HazardClass: 8
PackingGroup: II

Analytical Methods

For occupational chemical analysis use OSHA: #ID-55.

Specification

 Acrylic acid ester with hydracrylo-nitrile (CAS NO.106-71-8) is also called 2-Cyanoethyl ; 2-Cyanoethylpropenoate ; Acrylatede2-cyanoethyle ; Acrylicacid,esterwithhydracrylonitrile ; Cyanoethylacrylate ; Hydracrylonitrile,acrylate ; Hydracrylonitrileacrylate ; 3-Acryloyloxypropionitrile .