Homophthalonitrile supplier

Name
Homophthalonitrile
EINECS
CAS No. 3041-40-5
Article Data38
CAS DataBase
Density 1.126 g/cm³
Solubility
Melting Point 70.5°C
Formula C₉H₆N₂
Boiling Point 261.169 °C at 760 mmHg
Molecular Weight 142.16
Flash Point 117.51 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Malononitrile,phenyl- (6CI,7CI,8CI);Propanedinitrile, phenyl- (9CI);NSC 10742;Phenylmalononitrile;Homophthalonitrile;
PSA 47.58000
LogP 1.81736

Homophthalonitrile Specification

1.Introduction of Homophthalonitrile

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- . Homophthalonitrile
can be used in organic synthesis industry.

2.Properties of Homophthalonitrile

(1)Index of Refraction: 1.55(2)Molar Refractivity: 40.26 cm3(3)Molar Volume: 126.2 cm3(4)Surface Tension: 51.8 dyne/cm(5)Density: 1.125 g/cm3(6)Flash Point: 117.5 °C(7)Enthalpy of Vaporization: 49.89 kJ/mol(8)Boiling Point: 261.2 °C at 760 mmHg(9)Vapour Pressure: 0.0117 mmHg at 25 °C (10)XLogP3-AA: 1.6(11)H-Bond Acceptor: 2(12)Rotatable Bond Count: 1(13)Exact Mass: 142.053098(14)MonoIsotopic Mass: 142.053098(15)Topological Polar Surface Area: 47.6(16)Heavy Atom Count: 11(17)Complexity: 192

3.Structure descriptor of Homophthalonitrile

SMILES:
N#CCc1ccccc1C#NCopied
Std. InChI:
InChI=1S/C9H6N2/c10-6-5-8-3-1-2-4-9(8)7-11/h1-4H,5H2Copied
Std. InChIKey:
GKHSEDFDYXZGCG-UHFFFAOYSA-N

4.Toxicity of Homophthalonitrile

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LDLo	unreported	15mg/kg (15mg/kg)		Biochemical Pharmacology. Vol. 14, Pg. 1325, 1965.

Product Name

Homophthalonitrile

Homophthalonitrile Specification

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