4-Chloro-3-nitro-5-sulphamoylbenzoic acid supplier

Name
4-Chloro-3-nitro-5-sulphamoylbenzoic acid
EINECS 245-310-9
CAS No. 22892-96-2
Density 1.814 g/cm³
Solubility
Melting Point 227-231 °C
Formula C₇H₅ClN₂O₆S
Boiling Point 563.5 °C at 760 mmHg
Molecular Weight 280.645
Flash Point 294.6 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Benzoicacid, 4-chloro-3-nitro-5-sulfamoyl- (8CI);4-Chloro-3-nitro-5-sulfamoylbenzoateacid;4-Chloro-3-nitro-5-sulfamoylbenzoic acid;4-Chloro-3-nitro-5-sulfamylbenzoic acid;5-Aminosulfonyl-4-chloro-3-nitrobenzoic acid;
PSA 151.66000
LogP 2.89810

Synthetic route

: 3490-06-0
N-methylhomoveratrylamine

: 22892-96-2
4-chloro-3-nitro-5-sulfamoylbenzoic acid

: 1415960-92-7
4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-3-nitro-5-sulfamoylbenzoic acid

Conditions

Conditions	Yield
Stage #1: N-methylhomoveratrylamine; 4-chloro-3-nitro-5-sulfamoylbenzoic acid In water for 11h; Reflux; Stage #2: With hydrogenchloride In water pH=Ca. 2;	94%

: 404-70-6
2-(3-Fluorophenyl)ethylamine

: 22892-96-2
4-chloro-3-nitro-5-sulfamoylbenzoic acid

: 1415960-91-6
4-{[2-(3-fluorophenyl)ethyl]amino}-3-nitro-5-sulfamoylbenzoic acid

Conditions

Conditions	Yield
Stage #1: 2-(3-Fluorophenyl)ethylamine; 4-chloro-3-nitro-5-sulfamoylbenzoic acid In water for 2.5h; Reflux; Stage #2: With sodium hydroxide In water at 20℃; pH=Ca. 11; Stage #3: With hydrogenchloride In diethyl ether; water pH=Ca. 2;	91%

: 55-81-2
4-Methoxyphenethylamine

: 22892-96-2
4-chloro-3-nitro-5-sulfamoylbenzoic acid

: 1415960-88-1
4-{[2-(4-methoxyphenyl)ethyl]amino}-3-nitro-5-sulfamoylbenzoic acid

Conditions

Conditions	Yield
Stage #1: 4-Methoxyphenethylamine; 4-chloro-3-nitro-5-sulfamoylbenzoic acid In water for 2.5h; Reflux; Stage #2: With sodium hydroxide In water at 20℃; pH=Ca. 11; Stage #3: With hydrogenchloride In diethyl ether; water pH=Ca. 2;	87%

: 64-04-0
phenethylamine

: 22892-96-2
4-chloro-3-nitro-5-sulfamoylbenzoic acid

: 28395-45-1
3-nitro-4-[(2-phenylethyl)amino]-5-sulfamoylbenzoic acid

Conditions

Conditions	Yield
Stage #1: phenethylamine; 4-chloro-3-nitro-5-sulfamoylbenzoic acid In water for 2.5h; Reflux; Stage #2: With sodium hydroxide In water at 20℃; pH=Ca. 11; Stage #3: With hydrogenchloride In diethyl ether; water pH=Ca. 2;	85%
With hydrogenchloride In water

: 120-20-7
2-(3,4-dimethoxyphenyl)-ethylamine

: 22892-96-2
4-chloro-3-nitro-5-sulfamoylbenzoic acid

: 4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-nitro-5-sulfamoylbenzoic acid

Conditions

Conditions	Yield
Stage #1: 2-(3,4-dimethoxyphenyl)-ethylamine; 4-chloro-3-nitro-5-sulfamoylbenzoic acid In water for 2.5h; Reflux; Stage #2: With sodium hydroxide In water at 20℃; pH=Ca. 11; Stage #3: With hydrogenchloride In diethyl ether; water pH=Ca. 2;	80%

: 2039-67-0
2-(3-methoxyphenyl)-1-ethanamine

: 22892-96-2
4-chloro-3-nitro-5-sulfamoylbenzoic acid

: 1415960-87-0
4-{[2-(3-methoxyphenyl)ethyl]amino}-3-nitro-5-sulfamoylbenzoic acid

Conditions

Conditions	Yield
Stage #1: 2-(3-methoxyphenyl)-1-ethanamine; 4-chloro-3-nitro-5-sulfamoylbenzoic acid In water for 2.5h; Reflux; Stage #2: With sodium hydroxide In water at 20℃; pH=Ca. 11; Stage #3: With hydrogenchloride In diethyl ether; water pH=Ca. 2;	78%

: 2045-79-6
o-methoxy-2-phenylethylamine

: 22892-96-2
4-chloro-3-nitro-5-sulfamoylbenzoic acid

: 1415960-89-2
4-{[2-(2-methoxyphenyl)ethyl]amino}-3-nitro-5-sulfamoylbenzoic acid

Conditions

Conditions	Yield
Stage #1: o-methoxy-2-phenylethylamine; 4-chloro-3-nitro-5-sulfamoylbenzoic acid In water for 2.5h; Reflux; Stage #2: With sodium hydroxide In water at 20℃; pH=Ca. 11; Stage #3: With hydrogenchloride In diethyl ether; water pH=Ca. 2;	75%

: 110-91-8
morpholine

: 22892-96-2
4-chloro-3-nitro-5-sulfamoylbenzoic acid

: 28395-56-4
4-morpholino-3-nitro-5-sulfamoylbenzoic acid

Conditions

Conditions	Yield
Reflux;	67%

: 5071-96-5
3-METHOXYBENZYLAMINE

: 22892-96-2
4-chloro-3-nitro-5-sulfamoylbenzoic acid

: 1415960-94-9
4-[(3-methoxybenzyl)amino]-3-nitro-5-sulfamoylbenzoic acid

Conditions

Conditions	Yield
Stage #1: 3-METHOXYBENZYLAMINE; 4-chloro-3-nitro-5-sulfamoylbenzoic acid In water at 20℃; for 15h; Stage #2: With hydrogenchloride In water Heating;	64%

: 371-41-5
4-Fluorophenol

: 22892-96-2
4-chloro-3-nitro-5-sulfamoylbenzoic acid

: 1357465-13-4
4-(4-fluorophenoxy)-3-nitro-5-sulfamoylbenzoic acid

Conditions

Conditions	Yield
With sodium hydrogencarbonate In water at 85℃; for 16h;	61%
With sodium hydrogencarbonate In water at 85℃; for 16h;	61%
Stage #1: 4-Fluorophenol; 4-chloro-3-nitro-5-sulfamoylbenzoic acid With sodium hydrogencarbonate In water at 0 - 100℃; for 12h; Stage #2: With hydrogenchloride In water at 20℃;

: 2393-23-9
4-methoxy-benzylamine

: 22892-96-2
4-chloro-3-nitro-5-sulfamoylbenzoic acid

: 1415960-95-0
4-[(4-methoxybenzyl)amino]-3-nitro-5-sulfamoylbenzoic acid

Conditions

Conditions	Yield
Stage #1: 4-methoxy-benzylamine; 4-chloro-3-nitro-5-sulfamoylbenzoic acid In water at 20℃; for 3h; Stage #2: With sodium hydroxide In water pH=Ca. 9; Stage #3: With hydrogenchloride In diethyl ether; water	61%

: 13078-79-0
2-(3-chlorophenyl)ethylamine

: 22892-96-2
4-chloro-3-nitro-5-sulfamoylbenzoic acid

: 1415960-90-5
4-{[2-(3-chlorophenyl)ethyl]amino}-3-nitro-5-sulfamoylbenzoic acid

Conditions

Conditions	Yield
Stage #1: 2-(3-chlorophenyl)ethylamine; 4-chloro-3-nitro-5-sulfamoylbenzoic acid In water for 2.5h; Reflux; Stage #2: With sodium hydroxide In water at 20℃; pH=Ca. 11; Stage #3: With hydrogenchloride In diethyl ether; water pH=Ca. 2;	60%

: 22892-96-2
4-chloro-3-nitro-5-sulfamoylbenzoic acid

: 108-95-2
phenol

: 28328-53-2
3-nitro-4-phenoxy-5-sulfamoylbenzoic acid

Conditions

Conditions	Yield
With sodium hydrogencarbonate In water at 85℃;	57%
With sodium hydrogencarbonate In water at 85℃; for 15h;	38%
With sodium hydrogencarbonate In water
Stage #1: 4-chloro-3-nitro-5-sulfamoylbenzoic acid; phenol With sodium hydrogencarbonate In water at 85℃; Stage #2: With hydrogenchloride In water at 20℃;
With sodium hydrogencarbonate In water at 85℃;	1.9 g

: 100-46-9
benzylamine

: 22892-96-2
4-chloro-3-nitro-5-sulfamoylbenzoic acid

: 28395-43-9
4-(benzylamino)-3-nitro-5-sulfamoylbenzoic acid

Conditions

Conditions	Yield
Stage #1: benzylamine; 4-chloro-3-nitro-5-sulfamoylbenzoic acid In water at 20℃; for 3.5h; Stage #2: With hydrogenchloride In water Heating;	53%
In water

: 6850-57-3
2-methoxybenzylamine

: 22892-96-2
4-chloro-3-nitro-5-sulfamoylbenzoic acid

: 1415960-96-1
4-[(2-methoxybenzyl)amino]-3-nitro-5-sulfamoylbenzoic acid

Conditions

Conditions	Yield
Stage #1: 2-methoxybenzylamine; 4-chloro-3-nitro-5-sulfamoylbenzoic acid In water at 20℃; for 15h; Stage #2: With sodium hydroxide In water at 20℃; Stage #3: With hydrogenchloride In diethyl ether; water	51%

: 22892-96-2
4-chloro-3-nitro-5-sulfamoylbenzoic acid

: 3-amino-5-sulfamoylbenzoic acid

Conditions

Conditions	Yield
With 5%-palladium/activated carbon; hydrogen; sodium hydroxide In methanol; water under 760.051 Torr; for 3h;	42%
With 5%-palladium/activated carbon; hydrogen; sodium hydroxide In methanol; water under 760.051 Torr; for 3h;	42%

: 1357063-78-5
2-(3-(aminomethyl)quinolin-2-yl)phenol

: 22892-96-2
4-chloro-3-nitro-5-sulfamoylbenzoic acid

: 1357063-79-6
4-((2-(2-hydroxyphenyl)quinolin-3-yl)methylamino)-3-nitro-5-sulfamoylbenzoic acid

Conditions

Conditions	Yield
In butan-1-ol at 80 - 90℃;	41%

: 5763-61-1
3,4-dimethoxybenzylamine

: 22892-96-2
4-chloro-3-nitro-5-sulfamoylbenzoic acid

: 1415960-93-8
4-[(3,4-dimethoxybenzyl)amino]-3-nitro-5-sulfamoylbenzoic acid

Conditions

Conditions	Yield
Stage #1: 3,4-dimethoxybenzylamine; 4-chloro-3-nitro-5-sulfamoylbenzoic acid In water at 20℃; for 15h; Stage #2: With hydrogenchloride In water Heating;	36%

: 123-30-8
4-amino-phenol

: 22892-96-2
4-chloro-3-nitro-5-sulfamoylbenzoic acid

: 28395-39-3
4-(p-hydroxyanilino)-3-nitro-5-sulphamyl-benzoic acid

Conditions

Conditions	Yield
In water Heating;

: 536-90-3
m-Anisidine

: 22892-96-2
4-chloro-3-nitro-5-sulfamoylbenzoic acid

: 28337-65-7
4-(m-methoxyanilino)-3-nitro-5-sulphamyl-benzoic acid

Conditions

Conditions	Yield
In water Heating;

: 90-04-0
2-methoxy-phenylamine

: 22892-96-2
4-chloro-3-nitro-5-sulfamoylbenzoic acid

: 28337-64-6
4-(o-methoxyanilino)-3-nitro-5-sulphamyl-benzoic acid

Conditions

Conditions	Yield
In water Heating;

: 98-16-8
3-trifluoromethylaniline

: 22892-96-2
4-chloro-3-nitro-5-sulfamoylbenzoic acid

: 28395-33-7
3-nitro-5-sulphamyl-4-(m-trifluoromethylanilino)-benzoic acid

Conditions

Conditions	Yield
In water Heating;

: 109-55-7
1-amino-3-(dimethylamino)propane

: 22892-96-2
4-chloro-3-nitro-5-sulfamoylbenzoic acid

: 4-(3-dimethylaminopropylamino)-3-nitro-5-sulphamyl-benzoic acid

Conditions

Conditions	Yield
In water
In water

: 618-41-7
Benzenesulfinic acid

: 22892-96-2
4-chloro-3-nitro-5-sulfamoylbenzoic acid

: 28395-67-7
3-nitro-4-phenylsulphonyl-5-sulphamyl-benzoic acid

Conditions

Conditions	Yield
With sodium acetate In ethanol

: 109-85-3
2-methoxyethylamine

: 22892-96-2
4-chloro-3-nitro-5-sulfamoylbenzoic acid

: 28395-49-5
4-(2methoxyethylamino)-3-nitro-5-sulphamyl-benzoic acid

Conditions

Conditions	Yield
In ethanol
In ethanol

: 95-53-4
o-toluidine

: 22892-96-2
4-chloro-3-nitro-5-sulfamoylbenzoic acid

: 28337-63-5
3-nitro-5-sulphamyl-4-(o-toluidino)-benzoic acid

Conditions

Conditions	Yield
In water Heating;

: 109-83-1
(2-hydroxyethyl)(methyl)amine

: 22892-96-2
4-chloro-3-nitro-5-sulfamoylbenzoic acid

: 28395-52-0
4-[(2-Hydroxy-ethyl)-methyl-amino]-3-nitro-5-sulfamoyl-benzoic acid

Conditions

Conditions	Yield
In ethanol

: 108-43-0
3-monochlorophenol

: 22892-96-2
4-chloro-3-nitro-5-sulfamoylbenzoic acid

: 28337-54-4
4-(m-chlorophenoxy)-3-nitro-5-sulphamyl-benzoic acid

Conditions

Conditions	Yield
With hydrogenchloride; sodium hydrogencarbonate In water
With sodium hydrogencarbonate

: 64-17-5
ethanol

: 22892-96-2
4-chloro-3-nitro-5-sulfamoylbenzoic acid

: 28394-90-3
ethyl-4-chloro-3-nitro-5-sulphamyl-benzoate

Conditions

Conditions	Yield
With hydrogenchloride

: 124-41-4
sodium methylate

: 22892-96-2
4-chloro-3-nitro-5-sulfamoylbenzoic acid

: 28337-56-6
4-methoxy-3-nitro-5-sulphamyl-benzoic acid

Conditions

Conditions	Yield
In methanol

4-Chloro-3-nitro-5-sulphamoylbenzoic acid Specification

The Benzoic acid,3-(aminosulfonyl)-4-chloro-5-nitro-, with the CAS registry number 22892-96-2, is also known as Benzoic acid, 3-(aminosulfonyl)-4-chloro-5-nitro-. It belongs to the product categories of API intermediates; Intermediates of Bumetanide. Its EINECS number is 245-310-9. This chemical's molecular formula is C₇H₅ClN₂O₆S and formula weight is 280.64. What's more, its IUPAC name is called 4-chloro-3-nitro-5-sulfamoylbenzoic acid.

Physical properties of Benzoic acid,3-(aminosulfonyl)-4-chloro-5-nitro-: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.43; (4)ACD/LogD (pH 7.4): -2.01; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.648; (13)Molar Refractivity: 56.32 cm³; (14)Molar Volume: 154.7 cm³; (15)Surface Tension: 83.5 dyne/cm; (16)Density: 1.814 g/cm³; (17)Melting Point: 227-231 °C; (18)Flash Point: 294.6 °C; (19)Enthalpy of Vaporization: 89.09 kJ/mol; (20)Boiling Point: 563.5 °C at 760 mmHg; (21)Vapour Pressure: 1.56E-13 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])Cl)S(=O)(=O)N)C(=O)O
(2)InChI: InChI=1S/C7H5ClN2O6S/c8-6-4(10(13)14)1-3(7(11)12)2-5(6)17(9,15)16/h1-2H,(H,11,12)(H2,9,15,16)
(3)InChIKey: ACYLUAGCBGTEJF-UHFFFAOYSA-N

Product Name

4-Chloro-3-nitro-5-sulphamoylbenzoic acid

Synthetic route

4-Chloro-3-nitro-5-sulphamoylbenzoic acid Specification

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