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| CAS No.: | 543-21-5 |
|---|---|
| Name: | ACETYLENEDICARBOXAMIDE |
| Article Data: | 9 |
| Molecular Structure: | |
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|
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| Formula: | C4H4 N2 O2 |
| Molecular Weight: | 112.088 |
| Synonyms: | Acetylenedicarboxamide(6CI,7CI,8CI); Acetylene diamide; Acetylenedicarboxylic acid diamide;Aquamycin; Cellocidin; Lenamycin; NSC 38643; NSC 65381 |
| Density: | 1.41g/cm3 |
| Melting Point: | 179 °C |
| Boiling Point: | 294°Cat760mmHg |
| Flash Point: | 131.6°C |
| Risk Codes: | R25; R21 |
| Safety: | Poison by ingestion and intravenous routes. Moderately toxic by skin contact. When heated to decomposition it emits toxic fumes of NOx. See also ACETYLENE COMPOUNDS and ALKYNES. |
| PSA: | 86.18000 |
| LogP: | -0.63900 |
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Chemistry
IUPAC Name: but-2-ynediamide
Molecular Weight: 112.08676 g/mol
Molecular Formula: C4H4N2O2
Density: 1.41 g/cm3
Melting Point: 179 °C
Boiling Point: 294 °C at 760 mmHg
Flash Point: 131.6 °C
Appreance: cream to beige fine crystalline powder
Molar Volume: 79.4 cm3
Polarizability: 10.19*10-24 cm3
Surface Tension: 79.9 dyne/cm
Enthalpy of Vaporization: 53.36 kJ/mol
Vapour Pressure: 0.00167 mmHg at 25 °C
XLogP3-AA: -1.2
H-Bond Donor: 2
H-Bond Acceptor: 2
Tautomer Count: 3
Exact Mass: 112.027277
MonoIsotopic Mass: 112.027277
Topological Polar Surface Area: 86.2
Heavy Atom Count: 8
Complexity: 165
Canonical SMILES: C(#CC(=O)N)C(=O)N
InChI: InChI=1S/C4H4N2O2/c5-3(7)1-2-4(6)8/h(H2,5,7)(H2,6,8)
InChIKey: JBTGHKUTYAMZEZ-UHFFFAOYSA-N
EINECS: 200-816-9
Toxicity Data With Reference
| 1. | orl-mus LD50:89,200 µg/kg | JPIFAN Japan Pesticide Information.(1),(1969),15. | ||
| 2. | skn-mus LD50:667 mg/kg | JPIFAN Japan Pesticide Information.(1),(1969),15. | ||
| 3. | ivn-mus LD50:11 mg/kg | JAJAAA Journal of Antibiotics, Series A. 11 (1958),81. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Poison by ingestion and intravenous routes. Moderately toxic by skin contact. When heated to decomposition it emits toxic fumes of NOx. See also ACETYLENE COMPOUNDS and ALKYNES.
Hazard Codes: 
T
Risk Statements: 25-21
R25: Toxic if swallowed
R21: Harmful in contact with skin
Safety Statements: 45-36
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible)
S36: Wear suitable protective clothing
Specification
Acetylenedicarboxamide (CAS NO.543-21-5) is also called Acetylendicarbonsaeureamid ; Acetylenedicarboxylic acid diamide ; Acetylenedicarboxylicaciddiamide ; Aquamycin ; Lenamycin ; Renamycin ; 2-Butynediamide . Acetylenedicarboxamide (CAS NO.543-21-5) is high toxic. It is flammable. It will produce toxic nitrogen oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry. Keep Acetylenedicarboxamide (CAS NO.543-21-5) separate from raw materials of food.