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Cas Database |
| Name |
Benzenesulfonamide,4-chloro-N,N-dimethyl-3-nitro- |
EINECS | 205-295-1 |
| CAS No. | 137-47-3 | Density | 1.48 g/cm3 |
| PSA | 91.58000 | LogP | 3.10250 |
| Solubility | N/A | Melting Point |
103.5℃ (acetone water ) |
| Formula | C8H9ClN2O4S | Boiling Point | 387.3 °C at 760 mmHg |
| Molecular Weight | 264.689 | Flash Point | 188 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4-Chloro-N,N-dimethyl-3-nitrobenzenesulfonamide;5-(Dimethylsulfamoyl)-2-chloronitrobenzene;N,N-Dimethyl-3-nitro-4-chlorobenzenesulfonamide;N,N-Dimethyl-4-chloro-3-nitrobenzenesulfonamide;NSC 231629; |
Article Data | 8 |
Benzenesulfonamide,4-chloro-N,N-dimethyl-3-nitro- Synthetic route
- 87-52-5
3-(Dimethylaminomethyl)indole
- 97-08-5
3-nitro-4-chlorosulfonyl chloride
- 137-47-3
4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide
| Conditions | Yield |
|---|---|
| With triethylamine In acetonitrile at 25℃; for 24h; | 84% |
| With triethylamine In acetonitrile at 25℃; for 24h; | 84% |
- 97-08-5
3-nitro-4-chlorosulfonyl chloride
- 124-40-3
dimethyl amine
- 137-47-3
4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide
| Conditions | Yield |
|---|---|
| In tetrahydrofuran | 20% |
- 97-08-5
3-nitro-4-chlorosulfonyl chloride
- 506-59-2
N,N-dimethylammonium chloride
- 137-47-3
4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide
| Conditions | Yield |
|---|---|
| With triethylamine In 1,2-dichloro-ethane at 20℃; for 2h; |
| Conditions | Yield |
|---|---|
| With dimethyl amine In water; toluene |
- 60-29-7
diethyl ether
- 15945-25-2
2-chloro-3-nitrobenzenesulfonyl chloride
- 137-47-3
4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide
| Conditions | Yield |
|---|---|
| With dimethyl amine In methanol; water |
- 137-47-3
4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide
- 107403-12-3
3-hydroxy-5-tert-butylisoxazole
- 118938-18-4
5-t-butyl-2-(4-dimethylsulfamoyl-2-nitrophenyl)-4-isoxazolin-3-one
| Conditions | Yield |
|---|---|
| With hydrogenchloride; potassium carbonate In dimethyl sulfoxide | 89.5% |
- 137-47-3
4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 8h; Smiles Aromatic Rearrangement; | 89% |
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine In isopropyl alcohol for 18h; Reflux; | 81% |
- 53440-31-6
2-(4,5-dihydro-1H-imidazol-2-yl)-benzenethiol
- 137-47-3
4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide
| Conditions | Yield |
|---|---|
| With caesium carbonate In N,N-dimethyl-formamide at 75℃; Smiles Aromatic Rearrangement; | 66% |
- 137-47-3
4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide
- 21539-47-9
3-ethylamino propionitrile
A
- 81676-81-5
2-nitro-4-dimethylsulfamoyl-N-ethylaniline
B
- 81676-78-0
2-nitro-4-dimethylsulfamoyl-N-ethyl-N-β-cyanoethylaniline
| Conditions | Yield |
|---|---|
| In methanol at 65℃; for 10h; | A 30% B 65% |
| In i-Amyl alcohol at 130℃; Product distribution; Mechanism; other temperature, time, solvent; |
Benzenesulfonamide,4-chloro-N,N-dimethyl-3-nitro- Specification
The CAS registry number of Benzenesulfonamide,4-chloro-N,N-dimethyl-3-nitro- is 137-47-3. This chemical is also named as 5-(Dimethylsulfamoyl)-2-chloronitrobenzene. The EINECS registry number of it is 205-295-1. In addition, its molecular formula is C8H9ClN2O4S and molecular weight is 264.69. Its systematic name and IUPAC name are the same which is called 4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide.
Physical properties about Benzenesulfonamide,4-chloro-N,N-dimethyl-3-nitro- are: (1)ACD/LogP: 2.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.22; (4)ACD/LogD (pH 7.4): 2.22; (5)ACD/BCF (pH 5.5): 28.81; (6)ACD/BCF (pH 7.4): 28.81; (7)ACD/KOC (pH 5.5): 385.79; (8)ACD/KOC (pH 7.4): 385.79; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.58; (13)Molar Refractivity: 59.56 cm3; (14)Molar Volume: 178.7 cm3; (15)Surface Tension: 53.7 dyne/cm; (16)Density: 1.48 g/cm3; (17)Flash Point: 188 °C; (18)Enthalpy of Vaporization: 63.64 kJ/mol; (19)Boiling Point: 387.3 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(ccc1Cl)S(=O)(=O)N(C)C
(2)InChI: InChI=1/C8H9ClN2O4S/c1-10(2)16(14,15)6-3-4-7(9)8(5-6)11(12)13/h3-5H,1-2H3
(3)InChIKey: HBTAOSGHCXUEKI-UHFFFAOYAA
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