1,2-Benzenedicarbonitrile,4-(phenylthio)- supplier

Name
4-(PHENYLTHIO)PHTHALONITRILE 97
EINECS
CAS No. 77474-63-6
Article Data6
CAS DataBase
Density 1.28 g/cm³
Solubility
Melting Point
Formula C₁₄H₈N₂S
Boiling Point 465.7 °C at 760 mmHg
Molecular Weight 236.297
Flash Point 235.4 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms NSC 646246;4-(Phenylthio)phthalonitrile;
PSA 72.88000
LogP 3.58116

1,2-Benzenedicarbonitrile,4-(phenylthio)- Specification

The 1,2-Benzenedicarbonitrile,4-(phenylthio)- is an organic compound with the formula C₁₄H₈N₂S. The systematic name of this chemical is 4-(phenylsulfanyl)benzene-1,2-dicarbonitrile. With the CAS registry number 77474-63-6, it is also named as 4-(Phenylsulfanyl)phthalonitrile.

Physical properties about 1,2-Benzenedicarbonitrile,4-(phenylthio)- are: (1)ACD/LogP: 3.86; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 72.88 Å²; (5)Index of Refraction: 1.668; (6)Molar Refractivity: 68.6 cm³; (7)Molar Volume: 183.9 cm³; (8)Polarizability: 27.19×10^-24cm³; (9)Surface Tension: 66.3 dyne/cm; (10)Density: 1.28 g/cm³; (11)Flash Point: 235.4 °C; (12)Enthalpy of Vaporization: 72.73 kJ/mol; (13)Boiling Point: 465.7 °C at 760 mmHg; (14)Vapour Pressure: 7.53E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc2cc(Sc1ccccc1)ccc2C#N
(2)InChI: InChI=1/C14H8N2S/c15-9-11-6-7-14(8-12(11)10-16)17-13-4-2-1-3-5-13/h1-8H
(3)InChIKey: DONGQQAAIOHUPL-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C14H8N2S/c15-9-11-6-7-14(8-12(11)10-16)17-13-4-2-1-3-5-13/h1-8H
(5)Std. InChIKey: DONGQQAAIOHUPL-UHFFFAOYSA-N

Product Name

4-(PHENYLTHIO)PHTHALONITRILE 97

1,2-Benzenedicarbonitrile,4-(phenylthio)- Specification

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