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| CAS No.: | 3964-18-9 |
|---|---|
| Name: | 2,3-DIMETHYL-2,3-DINITROBUTANE |
| Article Data: | 108 |
| Cas Database | |
| Molecular Structure: | |
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|
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| Formula: | C6H12N2O4 |
| Molecular Weight: | 176.172 |
| 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: | 45 |
| Transport Information: | UN 2811 6.1/PG 2 |
| PSA: | 91.64000 |
| LogP: | 2.14340 |
- 39643-31-7Benzenamine,2-(1-piperidinyl)-
- 39644-80-92-Butenoic acid,4-(4-bromophenyl)-4-oxo-
- 3964-52-1Phenol,4-amino-2-chloro-
- 3964-56-5Phenol,4-bromo-2-chloro-
- 39645-73-3Selenourea,N,N'-dibutyl-
- 3964-57-6Benzoic acid,3-chloro-4-hydroxy-, methyl ester
- 3964-58-7Benzoic acid,3-chloro-4-hydroxy-
- 39646-72-5Tricyclo[3.3.1.13,7]decane,1,4-dibromo-, (1a,3a,4a,5b,7a)- (9CI)
- 39647-93-31-Octen-3-ol, 1-iodo-,(1E,3S)-
- 3964-81-65H-Benzo[5,6]cyclohepta[1,2-b]pyridine,6,11-dihydro-11-(1-methyl-4-piperidinylidene)-
- 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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
- 3964-18-9
2,3-dimethyl-2,3-dinitrobutane
| Conditions | Yield |
|---|---|
| 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. |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With isopropenylbenzene In methanol at 30℃; for 48h; Further byproducts given; | A 88% B 2% C 67% D 8% |
- 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 | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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% |
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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