CAS No.13244-33-2,p-Anisidine-3-sulfonic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13244-33-2
Name:	p-Anisidine-3-sulfonic acid
Article Data:	13

Formula:	C₇H₉NO₄S
Molecular Weight:	203.219
Synonyms:	1-Amino-4-methoxybenzene-2-sulfonicacid;4-Amino-3-sulfoanisole;4-Aminoanisole-3-sulfonic acid;4-Anisidine-2-sulfonic acid;4-Methoxy-1-aminobenzene-2-sulfonic acid;4-Methoxy-2-sulfoaniline;4-Methoxyaniline-2-sulfonic acid;
EINECS:	236-224-2
Density:	1.467 g/cm³
Melting Point:	314-318 °C
Appearance:	beige powder
Hazard Symbols:	Xn,Xi
Risk Codes:	36/37/38
Safety:	37/39-26
PSA:	98.00000
LogP:	2.18610

Synthetic route

: 2942-13-4
6-methoxy-1,3-benzothiazole

: 13244-33-2
2-amino-5-methoxybenzenesulfonic 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 4.5h;	96%

: 1190954-82-5
2-(2,2-dimethylpropionylamino)-5-methoxy-benzenesulfonic acid

: 13244-33-2
2-amino-5-methoxybenzenesulfonic acid

Conditions

Conditions	Yield
With hydrogenchloride; water at 85℃; for 21h;	95%

: C6H5NO4S(2-)*2Na(1+)

: 74-88-4
methyl iodide

: 13244-33-2
2-amino-5-methoxybenzenesulfonic acid

Conditions

Conditions	Yield
Stage #1: C6H5NO4S(2-)*2Na(1+); methyl iodide at 20℃; under 760.051 Torr; for 0.666667h; Stage #2: With sulfuric acid at 115℃; for 1.16667h; Temperature;	86%

: di(p-methoxy)anilinium sulfate

: 13244-33-2
2-amino-5-methoxybenzenesulfonic acid

Conditions

Conditions	Yield
for 0.0666667h; microwave irradiation;	58%

: sodium 5-methoxy-2-(phenylazo)benzenesulfonate

: 13244-33-2
2-amino-5-methoxybenzenesulfonic acid

Conditions

Conditions	Yield
With sodium dithionite In water at 80 - 95℃;	51%

: 70865-26-8
trisodium 7-({4-chloro-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl}methylamino)-4-hydroxy-3-[(4-methoxy-2-sulphonatophenyl)azo]naphthalene-2-sulphonate

: 67-63-0
isopropyl alcohol

A: 13244-33-2
2-amino-5-methoxybenzenesulfonic acid

B: 3-Amino-7-{[4-chloro-6-(3-sulfo-phenylamino)-[1,3,5]triazin-2-yl]-methyl-amino}-4-hydroxy-naphthalene-2-sulfonic acid

C: 67-64-1
acetone

Conditions

Conditions	Yield
In water Irradiation;

...Expand

acidic sulfate p-anisidine: acidic sulfate p-anisidine

: 13244-33-2
2-amino-5-methoxybenzenesulfonic acid

: 100-17-4
para-methoxynitrobenzene

disulfite: disulfite

: 13244-33-2
2-amino-5-methoxybenzenesulfonic acid

: sodium 5-hydroxy-2-(phenylazo)benzenesulfonate

: 13244-33-2
2-amino-5-methoxybenzenesulfonic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 90 percent / NaOH / H2O / 5 h / 60 °C / pH 9.0 2: 51 percent / Na2S2O4 / H2O / 80 - 95 °C View Scheme

: 56619-94-4
4-methoxy-N-pivaloylaniline

: 13244-33-2
2-amino-5-methoxybenzenesulfonic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: n-butyllithium / tetrahydrofuran; pentane / 3.33 h / -78 - -15 °C / Inert atmosphere 1.2: 18 h / -10 - 20 °C / Inert atmosphere 2.1: hydrogenchloride; water / 21 h / 85 °C View Scheme

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The 4-Aminoanisole-3-sulfonic acid is an organic compound with the formula C₇H₉NO₄S. The IUPAC name of this chemical is 2-amino-5-methoxybenzenesulfonic acid. With the CAS registry number 13244-33-2 and EINECS 236-224-2, it is also named as Benzenesulfonic acid, 2-amino-5-methoxy-. The classification code is Skin / Eye Irritant. When heated to decomposition it emits very toxic fumes of SO_x and NO_x.

The other characteristics of 4-Aminoanisole-3-sulfonic acid can be summarized as: (1)ACD/LogP: 0.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.15; (4)ACD/LogD (pH 7.4): -3.16; (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: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 64.22 Å²; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 47.08 cm³; (15)Molar Volume: 138.4 cm³; (16)Polarizability: 18.66×10^-24 cm³; (17)Surface Tension: 60.8 dyne/cm; (18)Rotatable Bond Count: 2; (19)Exact Mass: 203.025228; (20)MonoIsotopic Mass: 203.025228; (21)Topological Polar Surface Area: 98; (22)Heavy Atom Count: 13; (23)Complexity: 258.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:O=S(=O)(O)c1c(ccc(OC)c1)N
2. InChI:InChI=1/C7H9NO4S/c1-12-5-2-3-6(8)7(4-5)13(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)
3. InChIKey:KZKGEEGADAWJFS-UHFFFAOYAN

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	10gm/kg (10000mg/kg)		"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1055, 1986.