5-Chloroorthanilic acid supplier

Name
5-Chloroorthanilic acid
EINECS 205-119-3
CAS No. 133-74-4
Article Data15
CAS DataBase
Density 1.642 g/cm³
Solubility 3130 mg/L at 0 °C in water
Melting Point >300 °C
Formula C₆H₆ClNO₃S
Boiling Point
Molecular Weight 207.638
Flash Point
Transport Information
Appearance
Safety
Risk Codes R23/24/25; R33; R51/53
Molecular Structure
Hazard Symbols T,N
Synonyms 1-Amino-4-chloro-2-benzenesulfonicacid;2-Amino-5-chlorobenzenesulfonic acid;4-Chloroaniline-2-sulfonic acid;p-Chloroaniline-o-sulfonic acid;
PSA 88.77000
LogP 2.83090

Synthetic route

: 2942-10-1
6-chloro-1,3-benzothiazole

: 133-74-4
2-amino-5-chlorobenzenesulfonic acid

Conditions

Conditions	Yield
With [RuCl(P(C6H5)3)2(O(C6H4)NCH(C4H3N))]; bromamine B; sodium hydroxide In water; acetonitrile at 39.84℃; for 5.5h;	95%

: 106-47-8
4-chloro-aniline

: 133-74-4
2-amino-5-chlorobenzenesulfonic acid

Conditions

Conditions	Yield
With sulfuric acid for 0.05h; microwave irradiation;	87%
With sulfuric acid at 170 - 180℃; for 5h;	60%
With diphenyl sulphone; sulfuric acid

: 19063-16-2
(4-chloro-phenyl)-amidosulfuric acid

: 133-74-4
2-amino-5-chlorobenzenesulfonic acid

Conditions

Conditions	Yield
at 200℃; Beim Erhitzen der N-<4-chlor-phenyl>-sulfamidsauren Salze;

: 106-47-8
4-chloro-aniline

A: 88-43-7
4-chloroaniline-3-sulfonic acid

B: 133-74-4
2-amino-5-chlorobenzenesulfonic acid

Conditions

Conditions	Yield
With sulfuric acid

: 539-03-7
N-(4-chlorophenyl)acetamide

: 133-74-4
2-amino-5-chlorobenzenesulfonic acid

Conditions

Conditions	Yield
With sulfuric acid at 180℃;
With sulfuric acid at 140 - 170℃;

: 7664-93-9
sulfuric acid

: 539-03-7
N-(4-chlorophenyl)acetamide

: 133-74-4
2-amino-5-chlorobenzenesulfonic acid

Conditions

Conditions	Yield
at 180℃;

: 7647-01-0
hydrogenchloride

: 5-chloro-2-ureido-benzenesulfonic acid

: 133-74-4
2-amino-5-chlorobenzenesulfonic acid

Conditions

Conditions	Yield
Hydrolysis;

: 5329-14-6
aminosulfonic acid

: 106-47-8
4-chloro-aniline

: 133-74-4
2-amino-5-chlorobenzenesulfonic acid

Conditions

Conditions	Yield
at 230℃;

: 110-01-0
thiophene

: 7664-93-9
sulfuric acid

: 106-47-8
4-chloro-aniline

: 133-74-4
2-amino-5-chlorobenzenesulfonic acid

...Expand

: 133-74-4
2-amino-5-chlorobenzenesulfonic acid

: disodium 4,4'-dichlorobiphenyl-2,2'-disulfonate

Conditions

Conditions	Yield
Stage #1: 2-amino-5-chlorobenzenesulfonic acid With hydrogenchloride; sodium nitrite In water at 5℃; for 0.25h; Cooling with ice; Stage #2: With hydrogenchloride; copper; sodium carbonate In water at 0 - 25℃; for 0.5h; Reagent/catalyst; Solvent; Cooling with ice;	77%

: 100-97-0
hexamethylenetetramine

: 133-74-4
2-amino-5-chlorobenzenesulfonic acid

: silver carbonate

: [Ag(hexamethylenetetramine)(2-amino-5-chlorobenzenesulfonate)]

Conditions

Conditions	Yield
With NH4OH In methanol; water byproducts: CO2; aq. soln. of sulfonic acid added to solid Ag2CO3, stirred to complete CO2 formation, MeOH soln. hmt added (2:1:2 molar ratio), pptd.; ppt. dissolved in concd. ammonia, crystd. on storage in dark for 5 d, elem. anal.;	71%

...Expand

5-Chloroorthanilic acid Specification

This chemical is called 5-Chloroorthanilic acid, and its systematic name is 2-Amino-5-chlorobenzenesulphonic acid. With the molecular formula of C₆H₆ClNO₃S, its molecular weight is 207.63. The CAS registry number of this chemical is 133-74-4, and its product categories are Amines; Phenyls & Phenyl-Het; Phenyls & Phenyl-Het.

Other characteristics of the 5-Chloroorthanilic acid can be summarised as followings: (1)ACD/LogP: 1.28; (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): 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: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.99 Å²; (13)Index of Refraction: 1.639; (14)Molar Refractivity: 45.54 cm³; (15)Molar Volume: 126.4 cm³; (16)Polarizability: 18.05×10^-24cm³; (17)Surface Tension: 69.7 dyne/cm; (18)Density: 1.642 g/cm³.

Preparation of this chemcial: The 5-Chloroorthanilic acid could be obtained the reactant of 4-chloro-aniline, the reagent of aq. H₂SO₄, and the yield is 87 %. In addition, this reaction should be taken for 3 minutes with the microwave irradiation.

You can still convert the following datas into molecular structure:
1.SMILES: Clc1cc(c(N)cc1)S(=O)(=O)O
2.InChI: InChI=1/C6H6ClNO3S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,8H2,(H,9,10,11)
3.InChIKey: ZCGVPUAAMCMLTM-UHFFFAOYAY
4.Std. InChI: InChI=1S/C6H6ClNO3S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,8H2,(H,9,10,11)
5.Std. InChIKey: ZCGVPUAAMCMLTM-UHFFFAOYSA-N

Product Name

5-Chloroorthanilic acid

Synthetic route

5-Chloroorthanilic acid Specification

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