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| CAS No.: | 5417-82-3 |
|---|---|
| Name: | (1-Ethoxyethylidene)malononitrile |
| Article Data: | 33 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H8 N2 O |
| Molecular Weight: | 136.153 |
| Synonyms: | Malononitrile,(1-ethoxyethylidene)- (6CI,7CI,8CI); Propanedinitrile, (1-ethoxyethylidene)-(9CI); (1-Ethoxyethylidene)malonitrile; 1-Ethoxyethylidenemalononitrile;2-(1-Ethoxyethylidene)malononitrile; 2-Cyano-3-ethoxy-3-methylacrylonitrile;NSC 11585; a-Cyano-b-methyl-b-ethoxyacrylonitrile |
| Density: | 1.043g/cm3 |
| Melting Point: |
90-92 °C(lit.) |
| Boiling Point: | 312.6°Cat760mmHg |
| Flash Point: | 137.1°C |
| Appearance: | white to beige crystalline powder and chunks |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | R20/21/22; R36/37/38 |
| Safety: | A poison by ingestion. When heated to decomposition it emits toxic vapors of NOx. |
| PSA: | 56.81000 |
| LogP: | 1.34406 |
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Chemistry
IUPAC Name: 2-(1-Ethoxyethylidene)propanedinitrile
Synonyms of (1-Ethoxyethylidene)malononitrile) (CAS NO.5417-82-3): (1-Ethoxyethylidene)propanedinitrile ; 2-(1-Ethoxyethylidene)malononitrile ; Malononitrile, (1-ethoxyethylidene)- (6CI,7CI,8CI) ; Propanedinitrile, (1-ethoxyethylidene)- ; Propanedinitrile, 2-(1-ethoxyethylidene)-
Product Categories: blocks;BuildingBlocks;Carboxes;C6 to C7;Cyanides/Nitriles;Nitrogen Compounds
CAS NO: 5417-82-3
Molecular Formula: C7H8N2O
Molecular Weight: 136.1512
Molecular Structure:
EINECS: 226-521-5
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 56.81 Å2
Index of Refraction: 1.461
Molar Refractivity: 35.79 cm3
Molar Volume: 130.4 cm3
Surface Tension: 39.2 dyne/cm
Density: 1.043 g/cm3
Flash Point: 137.1 °C
Enthalpy of Vaporization: 55.36 kJ/mol
Boiling Point: 312.6 °C at 760 mmHg
Vapour Pressure: 0.000524 mmHg at 25°C
Melting Point: 90-92 °C(lit.)
Appearance: (1-Ethoxyethylidene)malononitrile) (CAS NO.5417-82-3) is white to beige crystalline powder and chunks.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LDLo | oral | 312mg/kg (312mg/kg) | GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH LIVER: "HEPATITIS, FIBROUS (CIRRHOSIS, POST-NECROTIC SCARRING)" BLOOD: CHANGES IN SPLEEN | United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0487-0663, |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Hazard Codes: 
Xn
Risk Statements: 20/21/22-36/37/38
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38: (1-Ethoxyethylidene)malononitrile) (CAS NO.5417-82-3) is irritating to eyes, respiratory system and skin.
Safety Statements: 26-28-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S28: After contact with skin, wash immediately with plenty of soap-suds.
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 3
WGK Germany: 3
RTECS: TY1510000
HazardClass: 6.1(b)
PackingGroup: III
A poison by ingestion. When heated to decomposition it emits toxic vapors of NOx.
Specification
1.General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
2.Extinguishing Media: In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.
3.Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
4.Storage: Store in a cool, dry place. Keep container closed when not in use.