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Cas Database |
| Name |
Propiolonitrile, phenyl- |
EINECS | N/A |
| CAS No. | 935-02-4 | Density | 1.09g/cm3 |
| PSA | 23.79000 | LogP | 1.56168 |
| Solubility | N/A | Melting Point |
37-42℃ |
| Formula | C9H5 N | Boiling Point | 215.8°Cat760mmHg |
| Molecular Weight | 127.145 | Flash Point | 87.6°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by ingestion. Moderately toxic by intravenous and subcutaneous routes. When heated to decomposition it emits toxic vapors of NOx. | Risk Codes | 25 |
| Molecular Structure |
|
Hazard Symbols | T |
| Synonyms |
Propiolonitrile,phenyl- (6CI,7CI,8CI); 1-Cyano-2-phenylacetylene; 3-Phenyl-2-propynenitrile;3-Phenylpropynenitrile; Cyanophenylacetylene; NSC 71547; Phenylcyanoacetylene;Phenylpropiolonitrile; Phenylpropynenitrile |
Article Data | 60 |
Propiolonitrile, phenyl- Chemical Properties
Product Name: Propiolonitrile, phenyl-
CAS Registry Number: 935-02-4
Synonyms: 2-Propynenitrile, 3-phenyl- ; 4-09-00-02329 (Beilstein Handbook Reference) ; AI3-11802 ; BRN 0386022 ; Cyanophenylacetylene ; NSC 71547 ; Phenylpropiolique nitrile ; Phenylpropiolique nitrile [French] ; Phenylpropiolonitrile ; Phenylpropynenitrile ; 2-Propynenitrile, 3-phenyl- ; Propiolonitrile, phenyl-
IUPAC Name: 3-phenylprop-2-ynenitrile
Molecular Weight: 127.1427 [g/mol]
Molecular Formula: C9H5N
XLogP3-AA: 2.2
H-Bond Acceptor: 1
Surface Tension: 50.5 dyne/cm
Density: 1.09 g/cm3
Flash Point: 87.6 °C
Enthalpy of Vaporization: 45.21 kJ/mol
Boiling Point: 215.8 °C at 760 mmHg
Vapour Pressure: 0.145 mmHg at 25°C
Following is the molecular structure of Propiolonitrile, phenyl- (CAS NO.935-02-4) is:
Propiolonitrile, phenyl- Toxicity Data With Reference
| 1. | orl-mus LD50:113 mg/kg | PHLIDQ Pharmacochemistry Library. 8 (1985),73. | ||
| 2. | ivn-rbt LDLo:10 mg/kg | COREAF Comptes Rendus Hebdomadaires des Seances de l’Academie des Sciences. 153 (1911),895. | ||
| 3. | scu-gpg LDLo:110 mg/kg | COREAF Comptes Rendus Hebdomadaires des Seances de l’Academie des Sciences. 153 (1911),895. |
Propiolonitrile, phenyl- Safety Profile
A poison by ingestion. Moderately toxic by intravenous and subcutaneous routes. When heated to decomposition it emits toxic vapors of NOx.
Propiolonitrile, phenyl- Specification
Descriptors computed from structure, you can know some information about Propiolonitrile, phenyl- (CAS NO.935-02-4) :
Canonical SMILES: C1=CC=C(C=C1)C#CC#N
InChI: InChI=1S/C9H5N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H
InChIKey: IYXVSRXFGYDNEV-UHFFFAOYSA-N
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