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Benzonitrile, 2,6-dinitro-

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Name

Benzonitrile, 2,6-dinitro-

EINECS N/A
CAS No. 35213-00-4 Density 1.55 g/cm3
PSA 115.43000 LogP 2.42108
Solubility N/A Melting Point 147-149°C
Formula C7H3N3O4 Boiling Point 391.4 °C at 760 mmHg
Molecular Weight 193.119 Flash Point 190.5 °C
Transport Information UN 3439 Appearance N/A
Safety 22-36/37 Risk Codes 20/21/22
Molecular Structure Molecular Structure of 35213-00-4 (2,6-DINITROBENZONITRILE) Hazard Symbols R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.;
Synonyms

2,6-Dinitrobenzenecarbonitrile;2,6-Dinitrobenzonitrile;

Article Data 8

Benzonitrile, 2,6-dinitro- Specification

This chemical is called Benzonitrile, 2,6-dinitro-, and its systematic name is 2,6-dinitrobenzonitrile. With the molecular formula of C7H3N3O4, its molecular weight is 193.12. The CAS registry number of this chemical is 35213-00-4. In addition, this chemcial should be sealed in the cool and dry place.

Other characteristics of the Benzonitrile, 2,6-dinitro- can be summarised as followings: (1)ACD/LogP: 0.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.95; (4)ACD/LogD (pH 7.4): 0.95; (5)ACD/BCF (pH 5.5): 3.12; (6)ACD/BCF (pH 7.4): 3.12; (7)ACD/KOC (pH 5.5): 78.6; (8)ACD/KOC (pH 7.4): 78.6; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 115.43 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 43.38 cm3; (15)Molar Volume: 124.1 cm3; (16)Polarizability: 17.19×10-24cm3; (17)Surface Tension: 76.4 dyne/cm; (18)Density: 1.55 g/cm3; (19)Flash Point: 190.5 °C; (20)Enthalpy of Vaporization: 64.1 kJ/mol; (21)Boiling Point: 391.4 °C at 760 mmHg; (22)Vapour Pressure: 2.47E-06 mmHg at 25°C.

Production method of this chemical: The Benzonitrile, 2,6-dinitro- could be obtained by the reactant of 2,6-dinitro-benzaldehyde-oxime. This reaction needs the reagent of acetic acid anhydride.

The Benzonitrile, 2,6-dinitro- could be obtained by the reactant of 2,6-dinitro-benzaldehyde-oxime

Uses of this chemical: The Benzonitrile, 2,6-dinitro- could react with methanol; sodium salt, and obtain the 2-methoxy-6-nitro-benzonitrile. This reaction needs the reagent of methanol.

The Benzonitrile, 2,6-dinitro- could react with methanol; sodium salt, and obtain the 2-methoxy-6-nitro-benzonitrile

When you are using this chemical, please be cautious about it as the following: This chemical is harmful to eyes, respiratory system and skin. Don't breathe dust. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: N#Cc1c(cccc1[N+]([O-])=O)[N+]([O-])=O
2.InChI: InChI=1/C7H3N3O4/c8-4-5-6(9(11)12)2-1-3-7(5)10(13)14/h1-3H
3.InChIKey: ZYDGHQSJZAFMLU-UHFFFAOYAY

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