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| CAS No.: | 7790-01-4 |
|---|---|
| Name: | 1,1-DICYANOETHYL ACETATE |
| Article Data: | 31 |
| Molecular Structure: | |
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|
|
| Formula: | C6H6 N2 O2 |
| Molecular Weight: | 138.126 |
| Synonyms: | Propanedinitrile,(acetyloxy)methyl- (9CI); Tartrononitrile, methyl-, acetate (6CI,7CI);Tartrononitrile, methyl-, acetate (ester) (8CI); 1,1-Dicyanoethyl acetate;1-Acetoxy-1,1-dicyanoethane; 2-Acetoxy-2-methylmalononitrile;2-Acetoxyisosuccinodinitrile; NSC 6394; a,a-Dicyanoethyl acetate |
| Density: | 1.171g/cm3 |
| Melting Point: |
69-71 °C(lit.) |
| Boiling Point: | 245.4°C at 760 mmHg |
| Flash Point: | 103.4°C |
| Hazard Symbols: | 1763912 |
| Risk Codes: | R23/24/25; R36/37/38 |
| Safety: | Poison by ingestion and skin contact. Moderately toxic by inhalation. When heated to decomposition it emits toxic fumes of NOx and CN−. See also NITRILES. |
| PSA: | 73.88000 |
| LogP: | 0.35536 |
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Chemistry
The Molecular Structure of Methylacetoxymalonitrile (CAS NO.7790-01-4):
Molecular Formula: C6H6N2O2
Molecular Weight: 138.124040 g/mol
IUPAC: 1,1-dicyanoethyl acetate
Density: 1.171 g/cm3
Flash Point: 103.4 °C
Enthalpy of Vaporization: 48.25 kJ/mol
Boiling Point: 245.4 °C at 760 mmHg
Vapour Pressure: 0.0288 mmHg at 25°C
ACD/LogP: -0.37
ACD/LogD (pH 5.5): -0.37
ACD/LogD (pH 7.4): -0.37
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 14.96
ACD/KOC (pH 7.4): 14.96
Polar Surface Area: 73.88Å2
Index of Refraction: 1.445
Molar Refractivity: 31.41 cm3
Molar Volume: 117.8 cm3
Surface Tension: 46.1 dyne/cm
Toxicity Data With Reference
| 1. | orl-rat LDLo:120 mg/kg | AIHAAP American Industrial Hygiene Association Journal. 23 (1962),95. | ||
| 2. | ihl-rat LC50:597 mg/m3/4H | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),573. | ||
| 3. | orl-rbt LDLo:18 mg/kg | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),573. | ||
| 4. | ihl-rbt LCLo:108 ppm/4H | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),573. | ||
| 5. | skn-rbt LD50:110 mg/kg | AIHAAP American Industrial Hygiene Association Journal. 23 (1962),95. |
Consensus Reports
Cyanide and its compounds are on the Community Right-To-Know List.
Safety Profile
Poison by ingestion and skin contact. Moderately toxic by inhalation. When heated to decomposition it emits toxic fumes of NOx and CN−. See also NITRILES.
Hazard Codes:
T
Risk Statements: 23/24/25-36/37/38
R23/24/25: Toxic by inhalation, in contact with skin and if swallowed
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 22-26-36/37/39-45
S22: Do not breathe dust
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
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 3439 6.1/PG 2
WGK Germany: 3
RTECS: WW9100000
HazardClass: 6.1(a)
PackingGroup: II
Specification
Methylacetoxymalonitrile (CAS NO.7790-01-4) can also be called as (Acetyloxy)methylpropanedinitrile ; 1,1-Dicyanoethyl acetate , 1,1-Dikyanethylester kyseliny octove ; 1,1-Dikyanethylester kyseliny octove [Czech] ; 1-Acetoxxy-1,1-dicyanoethane ; 1-Acetoxy-1,1-dicyanoethane ; 2-Acetoxyisosuccinodinitrile ; 4-03-00-01143 (Beilstein Handbook Reference) ; AI3-24628 ; Acetic acid 1,1-dicyanoethyl ester ; BRN 1763912 ; EINECS 232-195-5 ; Malononitrile, hydroxymethyl-, acetate (ester) ; Methylacetoxymalononitrile ; NSC 6394 ; alpha,alpha-Dicyanoethyl acetate ; 1,1-Dicyanoethyl acetate ; Propanedinitrile, (acetyloxy)methyl- (9CI) ; Tartrononitrile, methyl-, acetate (ester) .