Benzenesulfonamide,4-chloro-N,N-dimethyl-3-nitro- supplier

Name
2-NITROCHLOROBENZENE-4-(N,N-DIMETHYL)-SULPHONAMIDE
EINECS 205-295-1
CAS No. 137-47-3
Article Data8
CAS DataBase
Density 1.48 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 91.58000
LogP 3.10250

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

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

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

Conditions	Yield
With triethylamine In 1,2-dichloro-ethane at 20℃; for 2h;

: 97-08-5
3-nitro-4-chlorosulfonyl chloride

: 137-47-3
4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide

Conditions

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

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

Conditions	Yield
With hydrogenchloride; potassium carbonate In dimethyl sulfoxide	89.5%

: 137-47-3
4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide

: tert-butyl (3-(2-mercaptonicotinamido)propyl)carbamate

: tert-butyl (3-(9-(N,N-dimethylsulfamoyl)-5-oxobenzo[b]pyrido-[3,2-f][1,4]thiazepin-6(5H)-yl)propyl)carbamate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 8h; Smiles Aromatic Rearrangement;	89%

: 137-47-3
4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide

: 147-93-3
Thiosalicylic acid

: 2-((4-(N,N-dimethylsulfamoyl)-2-nitrophenyl)thio)benzoic acid

Conditions

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

: N,N-dimethyl-2,3-dihydrodibenzo[b,f ]imidazo[1,2-d][1,4]-thiazepine-7-sulfonamide

Conditions

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

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;

...Expand

: 137-47-3
4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide

: 154714-19-9
5-hydroxy-2,2-dimethyl-4H-benzo[d][1,3]dioxin-4-one

: 862298-40-6
4-[(2,2-dimethyl-4-oxo-4H-1,3-benzodioxin-5-yl)oxy]-N, N-dimethyl-3-nitrobenzenesulfonamide

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 70℃;	37%

: 137-47-3
4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide

: 57824-29-0
1-amino-2-nitrobenzene-4-sulphonic acid dimethylamide

Conditions

Conditions	Yield
With ammonia In methanol at 55℃;	16%

: 137-47-3
4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide

: 101430-57-3
3,3'-dinitro-4,4'-sulfanediyl-bis-benzenesulfonic acid bis-dimethylamide

: 137-47-3
4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide

: 156-43-4
4-Ethoxyaniline

: 67338-59-4
3-nitro-4-p-phenetidino-benzenesulfonic acid dimethylamide

Conditions

Conditions	Yield
With sodium hydrogencarbonate

: 100-64-1
Cyclohexanone oxime

: 137-47-3
4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide

: 13181-80-1
4-Cyclohexylideneaminooxy-N,N-dimethyl-3-nitro-benzenesulfonamide

Conditions

Conditions	Yield
With sodium ethanolate In 1,4-dioxane

: 600-20-4
3-methyl-butan-2-one oxime

: 137-47-3
4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide

: 13194-09-7
4-[1,2-Dimethyl-prop-(E)-ylideneaminooxy]-N,N-dimethyl-3-nitro-benzenesulfonamide

Conditions

Conditions	Yield
With sodium ethanolate In ethanol; acetonitrile

: 13559-66-5
(+/-)-camphor oxime

: 137-47-3
4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide

: N,N-Dimethyl-3-nitro-4-[1,7,7-trimethyl-bicyclo[2.2.1]hept-(2E)-ylideneaminooxy]-benzenesulfonamide

Conditions

Conditions	Yield
With sodium ethanolate In ethanol; acetonitrile

: 26879-81-2
3,5-dichloro-4-hydroxy-benzaldehyde-oxime

: 137-47-3
4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide

: 61101-46-0
4-[1-(3,5-Dichloro-4-hydroxy-phenyl)-meth-(Z)-ylideneaminooxy]-N,N-dimethyl-3-nitro-benzenesulfonamide

Conditions

Conditions	Yield
With sodium ethanolate In ethanol; acetonitrile

: 25952-74-3
3,5-dibromo-4-hydroxy-benzaldehyde-oxime

: 137-47-3
4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide

: 13194-06-4
4-[1-(3,5-Dibromo-4-hydroxy-phenyl)-meth-(Z)-ylideneaminooxy]-N,N-dimethyl-3-nitro-benzenesulfonamide

Conditions

Conditions	Yield
With sodium ethanolate In ethanol; acetonitrile

: 137-47-3
4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide

: 2296-76-6
4-hydroxy-3,5-diiodo-benzaldehyde-oxime

: 13194-07-5
4-[1-(4-Hydroxy-3,5-diiodo-phenyl)-meth-(Z)-ylideneaminooxy]-N,N-dimethyl-3-nitro-benzenesulfonamide

Conditions

Conditions	Yield
With sodium ethanolate In ethanol; acetonitrile

: 75-15-0
carbon disulfide

: 137-47-3
4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide

: 142-84-7
di-n-propylamine

: 25678-51-7
Dipropyl-dithiocarbamic acid 4-dimethylsulfamoyl-2-nitro-phenyl ester

Conditions

Conditions	Yield
(i) NaOH, (ii) /BRN= 2945366/; Multistep reaction;

...Expand

: 75-15-0
carbon disulfide

: 137-47-3
4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide

: 124-40-3
dimethyl amine

: 25678-49-3
Dimethyl-dithiocarbamic acid 4-dimethylsulfamoyl-2-nitro-phenyl ester

Conditions

Conditions	Yield
(i) NaOH, (ii) /BRN= 2945366/; Multistep reaction;

...Expand

: 75-15-0
carbon disulfide

: 137-47-3
4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide

: 109-89-7
diethylamine

: 25678-50-6
Diethyl-dithiocarbamic acid 4-dimethylsulfamoyl-2-nitro-phenyl ester

Conditions

Conditions	Yield
(i) NaOH, (ii) /BRN= 2945366/; Multistep reaction;

...Expand

: 75-15-0
carbon disulfide

: 137-47-3
4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide

: 108-18-9
diisopropylamine

: 25678-52-8
Diisopropyl-dithiocarbamic acid 4-dimethylsulfamoyl-2-nitro-phenyl ester

Conditions

Conditions	Yield
(i) NaOH, (ii) /BRN= 2945366/; Multistep reaction;

...Expand

: 75-15-0
carbon disulfide

: 137-47-3
4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide

: 101-83-7
N-cyclohexyl-cyclohexanamine

: 25678-53-9
Dicyclohexyl-dithiocarbamic acid 4-dimethylsulfamoyl-2-nitro-phenyl ester

Conditions

Conditions	Yield
(i) NaOH, (ii) /BRN= 2945366/; Multistep reaction;

...Expand

: 75-15-0
carbon disulfide

: 137-47-3
4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide

: 103-49-1
dibenzylamine

: 25678-54-0
Dibenzyl-dithiocarbamic acid 4-dimethylsulfamoyl-2-nitro-phenyl ester

Conditions

Conditions	Yield
(i) NaOH, (ii) /BRN= 2945366/; Multistep reaction;

...Expand

: 693-05-0
N-(2-cyanoethyl)-N-methylamine

: 137-47-3
4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide

A: 68528-28-9
3-Nitro-4-methylamino-benzolsulfonsaeure-dimethylamid

B: 81676-73-5
4-[(2-Cyano-ethyl)-methyl-amino]-N,N-dimethyl-3-nitro-benzenesulfonamide

Conditions

Conditions	Yield
In i-Amyl alcohol at 130℃; Product distribution; Mechanism; other temperature, time, solvent;

...Expand

: 693-05-0
N-(2-cyanoethyl)-N-methylamine

: 137-47-3
4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide

: 81676-73-5
4-[(2-Cyano-ethyl)-methyl-amino]-N,N-dimethyl-3-nitro-benzenesulfonamide

Conditions

Conditions	Yield
In methanol Heating;

: 5351-04-2
3-diethylaminopropionitrile

: 137-47-3
4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide

A: 37899-75-5
hydrochloride of 3-diethylaminopropionitrile

B: 81676-68-8
4-Diethylamino-N,N-dimethyl-3-nitro-benzenesulfonamide

C: 107-13-1
acrylonitrile

Conditions

Conditions	Yield
In i-Amyl alcohol Product distribution; Heating;
In i-Amyl alcohol

...Expand

: 137-47-3
4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide

: 930-69-8
sodium thiophenolate

: 83472-52-0
nitro-2 dimethylsulfamoyl-4 diphenylsulfure

Conditions

Conditions	Yield
In N,N-dimethyl-formamide for 5h; Heating;

: 137-47-3
4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide

: 1738-25-6
3-dimethylaminopropiononitrile

A: 81676-66-6
N,N-dimethyl-4-dimethylamino-3-nitrobenzenesulfonamide

B: 18076-02-3
hydrochloride of 3-dimethylaminopropionitrile

C: 107-13-1
acrylonitrile

Conditions

Conditions	Yield
In i-Amyl alcohol

...Expand

: 598-94-7
1,1-Dimethylurea

: 137-47-3
4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide

: 81676-66-6
N,N-dimethyl-4-dimethylamino-3-nitrobenzenesulfonamide

Conditions

Conditions	Yield
at 200℃;

: 150-69-6
N-(p-ethoxyphenyl)urea

: 137-47-3
4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide

: 67338-59-4
3-nitro-4-p-phenetidino-benzenesulfonic acid dimethylamide

Conditions

Conditions	Yield
at 200℃;

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

Product Name

2-NITROCHLOROBENZENE-4-(N,N-DIMETHYL)-SULPHONAMIDE

Synthetic route

Benzenesulfonamide,4-chloro-N,N-dimethyl-3-nitro- Specification

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