Malononitrile, (p-tolylazo)- supplier

Name
[(E)-(4-methylphenyl)diazenyl]propanedinitrile
EINECS
CAS No. 5456-89-3
Article Data6
CAS DataBase
Density 1.1 g/cm³
Solubility
Melting Point
Formula C₁₀H₈N₄
Boiling Point 287.5 °C at 760 mmHg
Molecular Weight 184.2
Flash Point 127.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Tolyl-azo-malononitril [German];(p-Tolylazo)malononitrile;2-(4-methylphenyl)diazenylpropanedinitrile;Propanedinitrile, ((4-methylphenyl)azo)-;
PSA
LogP

Malononitrile, (p-tolylazo)- Specification

This chemical is called Malononitrile, (p-tolylazo)-, and its systematic name is 2-(p-tolylazo)propanedinitrile. With the molecular formula of C₁₀H₈N₄, its molecular weight is 184.20. The CAS registry number of this chemical is 5456-89-3. In addition, its classification code is Drug / Therapeutic Agent.

Other characteristics of the Malononitrile, (p-tolylazo)- can be summarised as followings: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 2.79; (5)ACD/BCF (pH 5.5): 77.35; (6)ACD/BCF (pH 7.4): 77.35; (7)ACD/KOC (pH 5.5): 782.29; (8)ACD/KOC (pH 7.4): 782.29; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 72.3 Å²; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 55.83 cm³; (15)Molar Volume: 167.1 cm³; (16)Polarizability: 22.13×10^-24cm³; (17)Surface Tension: 44.5 dyne/cm; (18)Density: 1.1 g/cm³; (19)Flash Point: 127.7 °C; (20)Enthalpy of Vaporization: 52.67 kJ/mol; (21)Boiling Point: 287.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00248 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Cc1ccc(cc1)N=NC(C#N)C#N
2.InChI: InChI=1/C10H8N4/c1-8-2-4-9(5-3-8)13-14-10(6-11)7-12/h2-5,10H,1H3
3.InChIKey: PVMNLJXFLNGWDN-UHFFFAOYAE

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LDLo	intraperitoneal	30mg/kg (30mg/kg)		Biochemical Pharmacology. Vol. 13, Pg. 285, 1964.

Product Name

[(E)-(4-methylphenyl)diazenyl]propanedinitrile

Malononitrile, (p-tolylazo)- Specification

Related Products

Hot Products