Basic information
- Name:
Propanedinitrile,2-phenyl-
- Superlist Name:
- Homophthalonitrile
- CAS No.:
3041-40-5
- Molecular Structure:
- Formula:
- C9H6N2
- Molecular Weight:
- 142.16
- Synonyms:
- Malononitrile,phenyl- (6CI,7CI,8CI);Propanedinitrile, phenyl- (9CI);NSC 10742;Phenylmalononitrile;
- Density:
- 1.126 g/cm3
- Boiling Point:
- 261.169 °C at 760 mmHg
- Flash Point:
- 117.51 °C
Famous Chemical Enterprises
-
Livzon -
Total -
Shell -
Dupont -
Exxonmobil -
Akzonobel -
Basf -
Bayer -
BP
Please post your buying leads,so that our qualified suppliers will soon
contact you!
*Required Fields
Chemistry
Molecule structure of Propanedinitrile,2-phenyl- (CAS NO.3041-40-5):
.gif)
IUPAC Name: 2-Phenylpropanedinitrile
Molecular Weight: 142.15734 [g/mol]
Molecular Formula: C9H6N2
Index of Refraction: 1.55
Molar Refractivity: 40.26 cm3
Molar Volume: 126.2 cm3
Surface Tension: 51.8 dyne/cm
Density: 1.125 g/cm3
Flash Point: 117.5 °C
Enthalpy of Vaporization: 49.89 kJ/mol
Boiling Point: 261.2 °C at 760 mmHg
Vapour Pressure: 0.0117 mmHg at 25 °C
XLogP3-AA: 1.6
H-Bond Acceptor: 2
Rotatable Bond Count: 1
Exact Mass: 142.053098
MonoIsotopic Mass: 142.053098
Topological Polar Surface Area: 47.6
Heavy Atom Count: 11
Complexity: 192
Canonical SMILES: C1=CC=C(C=C1)C(C#N)C#N
InChI: InChI=1S/C9H6N2/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,9H
InChIKey: OFCTVAYVCDCQDA-UHFFFAOYSA-N
Classification Code of Propanedinitrile,2-phenyl- (CAS NO.3041-40-5): Drug / Therapeutic Agent
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LDLo | unreported | 15mg/kg (15mg/kg) | Biochemical Pharmacology. Vol. 14, Pg. 1325, 1965. |
Specification
Propanedinitrile,2-phenyl- (CAS NO.3041-40-5) is also called 4-09-00-03341 (Beilstein Handbook Reference) ; BRN 2044503 ; NSC 10742 ; Phenyl-malonitril ; Phenyl-malonitril [German] ; Phenylmalononitrile ; Propanedinitrile, phenyl- ; Malononitrile, phenyl- .