Basic information
- Name:
Butane,2,3-dimethyl-2,3-dinitro-
- Superlist Name:
- 2,3-Dimethyl-2,3-dinitrobutane
- CAS No.:
3964-18-9
- Molecular Structure:
- Formula:
- C6H12N2O4
- Molecular Weight:
- 176.07
- Synonyms:
- 2,3-Dinitro-2,3-dimethylbutane;NSC 1156;
- EINECS:
- 223-569-9
- Density:
- 1.15 g/cm3
- Melting Point:
- 214-215 °C (dec.)(lit.)
- Boiling Point:
- 219.8 °C at 760 mmHg
- Flash Point:
- 80.2 °C
- Appearance:
- white to off-white crystal or crystalline powder
- Hazard Symbols:
T- Risk Codes:
- 25
- Safety Description:
- 45 Details
- Transport Information:
- UN 2811 6.1/PG 2
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Specification
The CAS register number of Butane,2,3-dimethyl-2,3-dinitro- is 3964-18-9. The IUPAC name about this chemical is 2,3-dimethyl-2,3-dinitrobutane. The molecular formula about this chemical is C6H12N2O4 and the molecular weight is 176.17. It belongs to the following product categories which include Nitro Compounds; Nitrogen Compounds; Organic Building Blocks and so on.
Physical properties about Butane,2,3-dimethyl-2,3-dinitro- are: (1)ACD/LogP: 1.82; (2)ACD/LogD (pH 5.5): 1.82; (3)ACD/LogD (pH 7.4): 1.82 ; (4)#H bond acceptors: 6; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 91.64Å2; (7)Index of Refraction: 1.458; (8)Molar Refractivity: 41.82 cm3; (9)Molar Volume: 153.2 cm3; (10)Polarizability: 16.57x10-24cm3; (11)Surface Tension: 37 dyne/cm; (12)Flash Point: 80.2 °C; (13)Enthalpy of Vaporization: 45.63 kJ/mol; (14)Boiling Point: 219.8 °C at 760 mmHg; (15)Vapour Pressure: 0.117 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-nitro-propane. This reaction will need reagent air aand NaOH-solution.
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Uses of Butane,2,3-dimethyl-2,3-dinitro-: it can be used to produce 1,1,2,2-tetramethyl-ethanediyldiamine. This reaction will need reagent tin and hydrochloric acid.
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When you are using this chemical, please be cautious about it as the following:
This chemical is toxic if swallowed. In case of accident or if you feel unwell, please seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C(C)(C)[N+](=O)[O-])[N+](=O)[O-]
(2)InChI: InChI=1/C6H12N2O4/c1-5(2,7(9)10)6(3,4)8(11)12/h1-4H3
(3)InChIKey: DWCLXOREGBLXTD-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C6H12N2O4/c1-5(2,7(9)10)6(3,4)8(11)12/h1-4H3
(5)Std. InChIKey: DWCLXOREGBLXTD-UHFFFAOYSA-N