-
Name
2-Propynenitrile, 3-phenyl- (9CI)
- EINECS
- CAS No. 935-02-4
- Article Data60
- CAS DataBase
- Density 1.09g/cm3
- Solubility
- Melting Point 37-42℃
- Formula C9H5 N
- Boiling Point 215.8°Cat760mmHg
- Molecular Weight 127.145
- Flash Point 87.6°C
- Transport Information
- Appearance
- 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
- PSA 23.79000
- LogP 1.56168
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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