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| CAS No.: | 935-02-4 |
|---|---|
| Name: | 2-Propynenitrile, 3-phenyl- (9CI) |
| Article Data: | 60 |
| Molecular Structure: | |
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| Formula: | C9H5 N |
| Molecular Weight: | 127.145 |
| Synonyms: | Propiolonitrile,phenyl- (6CI,7CI,8CI); 1-Cyano-2-phenylacetylene; 3-Phenyl-2-propynenitrile;3-Phenylpropynenitrile; Cyanophenylacetylene; NSC 71547; Phenylcyanoacetylene;Phenylpropiolonitrile; Phenylpropynenitrile |
| Density: | 1.09g/cm3 |
| Melting Point: | 37-42℃ |
| Boiling Point: | 215.8°Cat760mmHg |
| Flash Point: | 87.6°C |
| Hazard Symbols: | T |
| Risk Codes: | 25 |
| Safety: | A poison by ingestion. Moderately toxic by intravenous and subcutaneous routes. When heated to decomposition it emits toxic vapors of NOx. |
| PSA: | 23.79000 |
| LogP: | 1.56168 |
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Chemistry
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:
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. |
Safety Profile
A poison by ingestion. Moderately toxic by intravenous and subcutaneous routes. When heated to decomposition it emits toxic vapors of NOx.
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