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2,3-Dimethyl-2,3-dinitrobutane

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Name

2,3-Dimethyl-2,3-dinitrobutane

EINECS 223-569-9
CAS No. 3964-18-9 Density 1.15 g/cm3
PSA 91.64000 LogP 2.14340
Solubility N/A Melting Point 214-215 °C (dec.)(lit.)
Formula C6H12N2O4 Boiling Point 219.8 °C at 760 mmHg
Molecular Weight 176.172 Flash Point 80.2 °C
Transport Information UN 2811 6.1/PG 2 Appearance white to off-white crystal or crystalline powder
Safety 45 Risk Codes 25
Molecular Structure Molecular Structure of 3964-18-9 (2,3-DIMETHYL-2,3-DINITROBUTANE) Hazard Symbols ToxicT
Synonyms

2,3-Dinitro-2,3-dimethylbutane;NSC 1156;

Article Data 108

2,3-Dimethyl-2,3-dinitrobutane Synthetic route

18995-13-6

Diethyl ethylsodiomalonate

74974-44-0

2-nitro-2-thiocyanatopropane

A

3964-18-9

2,3-dimethyl-2,3-dinitrobutane

B

42798-10-7

2,3-bis(ethoxycarbonyl)-2,3-diethylsuccinic acid diethyl ester

Conditions
ConditionsYield
In dimethyl sulfoxide for 5h; Photolysis;A 95%
B 53%
3958-63-2

lithium 2-nitropropane

1483-73-4

diphenyliodonium bromide

A

50-00-0

formaldehyd

B

591-50-4

iodobenzene

C

92-52-4

biphenyl

D

3964-18-9

2,3-dimethyl-2,3-dinitrobutane

E

3457-58-7

2-nitro-2-phenylpropane

F

71-43-2

benzene

Conditions
ConditionsYield
In methanol at 30℃; for 48h; Mechanism; Product distribution; other diaryliodonium bromides, other times, effect of light and oxygen;A 38%
B 94%
C 5%
D 5%
E 41%
F 43%
14384-47-5

2,3-Dihydro-2,2,3,3,5,6-hexamethylpyrazine-1,4-dioxide

A

3964-18-9

2,3-dimethyl-2,3-dinitrobutane

B

431-03-8

dimethylglyoxal

Conditions
ConditionsYield
With ozone In chloroform-d1 at -78℃; for 0.25h;A 93%
B n/a
66463-89-6

1-methyl-1-nitroethyl p-nitrophenyl sulphide

2-nitropropane sodium salt

3964-18-9

2,3-dimethyl-2,3-dinitrobutane

Conditions
ConditionsYield
In N,N-dimethyl-formamide for 5h; Irradiation;92%
In N,N-dimethyl-formamide for 4h; Product distribution; Irradiation; dark, reaction in the presence of free-radical scavengers; reaction with other α-nitrosulphides;71 % Chromat.
79-46-9

2-nitropropane

3964-18-9

2,3-dimethyl-2,3-dinitrobutane

Conditions
ConditionsYield
Stage #1: 2-nitropropane With sodium hydroxide for 0.5h; Cooling with ice;
Stage #2: With bromine In ethanol at 90℃; for 2.5h; Cooling with ice;
91.2%
With bromine; sodium hydroxide In ethanol at 84℃; for 3h;83%
Stage #1: 2-nitropropane With bromine; sodium hydroxide In water Cooling with ice;
Stage #2: In ethanol; water at 90℃; for 3h;
81%
5447-97-2

2-bromo-2-nitropropane

3964-18-9

2,3-dimethyl-2,3-dinitrobutane

Conditions
ConditionsYield
With sodium tert-butyl thiolate In N,N-dimethyl-formamide at 25℃; Irradiation;90%
With 2-mercaptopyridine-1-oxide sodium salt In methanol for 21h;32%
With sodium tert-butyl thiolate In N,N-dimethyl-formamide Product distribution; Irradiation; Products distribution at various temperatures;
3958-63-2

lithium 2-nitropropane

1483-73-4

diphenyliodonium bromide

A

591-50-4

iodobenzene

B

3964-18-9

2,3-dimethyl-2,3-dinitrobutane

C

3457-58-7

2-nitro-2-phenylpropane

D

71-43-2

benzene

Conditions
ConditionsYield
With isopropenylbenzene In methanol at 30℃; for 48h; Further byproducts given;A 88%
B 2%
C 67%
D 8%

2-nitropropane sodium salt

15718-46-4

2,2'-dipyrimidyl disulfide

A

3964-18-9

2,3-dimethyl-2,3-dinitrobutane

B

95106-83-5

1-methyl-1-nitroethylpyrimidin-2-yl sulphide

Conditions
ConditionsYield
With oxygen In N,N-dimethyl-formamide for 8h;A 7%
B 86%
5275-46-7

2-nitro-2-nitrosopropane

A

595-49-3

2,2-dinitropropane

B

3964-18-9

2,3-dimethyl-2,3-dinitrobutane

C

67-64-1

acetone

D

2-Nitro-2-nitrosooxy-propane

Conditions
ConditionsYield
In 1,1,2-Trichloro-1,2,2-trifluoroethane at 31℃;A n/a
B n/a
C 83%
D 17%
79-46-9

2-nitropropane

1220564-53-3

6-nitro-N-propyl-2-trichloromethylquinazolin-4-amine

A

3964-18-9

2,3-dimethyl-2,3-dinitrobutane

B

1220564-57-7

2-(1-chloro-2-methylprop-1-enyl)-6-nitro-N-propylquinazolin-4-amine

Conditions
ConditionsYield
Stage #1: 2-nitropropane With tetra(n-butyl)ammonium hydroxide In dichloromethane; water at 20℃; for 0.5h; Inert atmosphere;
Stage #2: 6-nitro-N-propyl-2-trichloromethylquinazolin-4-amine In dichloromethane; water at 20℃; for 4h; UV-irradiation; Inert atmosphere;
A n/a
B 83%

2,3-Dimethyl-2,3-dinitrobutane 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.

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.

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

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