CAS No.35213-00-4,2,6-DINITROBENZONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	35213-00-4
Name:	2,6-DINITROBENZONITRILE
Article Data:	8

Formula:	C₇H₃N₃O₄
Molecular Weight:	193.119
Synonyms:	2,6-Dinitrobenzenecarbonitrile;2,6-Dinitrobenzonitrile;
Density:	1.55 g/cm³
Melting Point:	147-149°C
Boiling Point:	391.4 °C at 760 mmHg
Flash Point:	190.5 °C
Hazard Symbols:	R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.;
Risk Codes:	20/21/22
Safety:	22-36/37
Transport Information:	UN 3439
PSA:	115.43000
LogP:	2.42108

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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