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3,5-Diamino-2,4,6-trimethylbenzenesulfonic acid
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Name

3,5-Diamino-2,4,6-trimethylbenzenesulfonic acid

 EINECS 251-039-7
CAS No. 32432-55-6 Density 1.39 g/cm3
PSA 114.79000 LogP 3.26610
Solubility N/A Melting Point 169-171 °C(lit.)
Formula C9H14N2O3S Boiling Point N/A
Molecular Weight 230.288 Flash Point N/A
Transport Information N/A Appearance Solid.
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 32432-55-6 (3,5-Diamino-2,4,6-trimethylbenzenesulfonic acid) Hazard Symbols IrritantXi
Synonyms

2,4-Diamino-1,3,5-trimethylbenzene-6-sulfonicacid;2,6-Diamino-1,3,5-trimethylbenzene-4-sulfonic acid;Diaminomesitylenesulfonicacid;

Article Data 4

3,5-Diamino-2,4,6-trimethylbenzenesulfonic acid Synthetic route

33144-12-6

2,4-dinitromesitylene-6-sulfonic acid

32432-55-6

3,5-diamino-2,4,6-trimethylbenzene-1-sulfonic acid

Conditions
ConditionsYield
With sodium sulfate In sulfuric acid at 30 - 70℃; electrosynthesis (lead cathode, 3-7 A/dm3), pH 2.5-3;98%
With selenium; carbon monoxide; sodium carbonate In water at 150℃; under 37503.8 Torr; for 5h; Time; Temperature; Pressure; Reagent/catalyst; Autoclave;84.21%
sodium salt of/the/ 4.6-dinitro-mesitylene-sulfonic acid-(2)

sodium salt of/the/ 4.6-dinitro-mesitylene-sulfonic acid-(2)

32432-55-6

3,5-diamino-2,4,6-trimethylbenzene-1-sulfonic acid

Conditions
ConditionsYield
With iron; acetic acid
With sodium carbonate; iron(II) sulfate
108-77-0

1,3,5-trichloro-2,4,6-triazine

32432-55-6

3,5-diamino-2,4,6-trimethylbenzene-1-sulfonic acid

3,5-bis((4,6-dichloro-1,3,5-triazine-2-yl)amino)-2,4,6-trimethylbenzenesulfonic acid sodium salt

Conditions
ConditionsYield
With sodium carbonate In acetone at 0℃; for 2h; pH=6;86.8%
32432-55-6

3,5-diamino-2,4,6-trimethylbenzene-1-sulfonic acid

89-36-1

4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonic acid

C29H25N8O11S3(3-)*3Na(1+)

Conditions
ConditionsYield
Stage #1: 3,5-diamino-2,4,6-trimethylbenzene-1-sulfonic acid With hydrogenchloride; sodium nitrite In water at 5℃; for 0.583333h;
Stage #2: 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonic acid With sodium acetate In ethyl acetate; N,N-dimethyl-formamide at 5℃; for 1h;		72%

C23H40N4

32432-55-6

3,5-diamino-2,4,6-trimethylbenzene-1-sulfonic acid

C55H87N12O3S(1-)*Na(1+)

Conditions
ConditionsYield
Stage #1: 3,5-diamino-2,4,6-trimethylbenzene-1-sulfonic acid With hydrogenchloride; sodium nitrite In water at 5℃; for 0.583333h;
Stage #2: C23H40N4 With sodium acetate In ethyl acetate; N,N-dimethyl-formamide at 5℃; for 1h;		69%
32432-55-6

3,5-diamino-2,4,6-trimethylbenzene-1-sulfonic acid

118-47-8

5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid

C29H19N8O15S3(5-)*5Na(1+)

Conditions
ConditionsYield
Stage #1: 3,5-diamino-2,4,6-trimethylbenzene-1-sulfonic acid With hydrogenchloride; sodium nitrite In water at 5℃; for 0.583333h;
Stage #2: 5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid With sodium acetate In ethyl acetate; N,N-dimethyl-formamide at 5℃; for 1h;		69%

2,6-bis(mesitylamino)-4-methylpyridine-3-carbonitrile

32432-55-6

3,5-diamino-2,4,6-trimethylbenzene-1-sulfonic acid

C59H63N12O3S(1-)*Na(1+)

Conditions
ConditionsYield
Stage #1: 3,5-diamino-2,4,6-trimethylbenzene-1-sulfonic acid With hydrogenchloride; sodium nitrite In water at 5℃; for 0.583333h;
Stage #2: 2,6-bis(mesitylamino)-4-methylpyridine-3-carbonitrile With sodium acetate In ethyl acetate; N,N-dimethyl-formamide at 5℃; for 1h;		69%

2,6-bis((2,6-diethylphenyl)amino)-4-methylnicotinonitrile

32432-55-6

3,5-diamino-2,4,6-trimethylbenzene-1-sulfonic acid

C67H79N12O3S(1-)*Na(1+)

Conditions
ConditionsYield
Stage #1: 3,5-diamino-2,4,6-trimethylbenzene-1-sulfonic acid With hydrogenchloride; sodium nitrite In water at 5℃; for 0.583333h;
Stage #2: 2,6-bis((2,6-diethylphenyl)amino)-4-methylnicotinonitrile With sodium acetate In ethyl acetate; N,N-dimethyl-formamide at 5℃; for 1h;		69%
32432-55-6

3,5-diamino-2,4,6-trimethylbenzene-1-sulfonic acid

89-25-8

edaravone

C29H27N8O5S(1-)*Na(1+)

Conditions
ConditionsYield
Stage #1: 3,5-diamino-2,4,6-trimethylbenzene-1-sulfonic acid With hydrogenchloride; sodium nitrite In water at 5℃; for 0.583333h;
Stage #2: 3-methyl-1-phenylpyrazolin-5-(4H)-one With sodium acetate In ethyl acetate; N,N-dimethyl-formamide at 5℃; for 1h;		65%
32432-55-6

3,5-diamino-2,4,6-trimethylbenzene-1-sulfonic acid

77545-45-0

3’,6’-dichlorospiro[3H-2,1-benzoxathiol-3,9’-[9H]xanthene]-1,1-dioxide

C37H34N4O10S3(2-)*2Na(1+)

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene; zinc(II) chloride In 1,2-dimethoxyethane at 150℃; for 6h;19%
With 1,8-diazabicyclo[5.4.0]undec-7-ene; zinc(II) chloride In ethylene glycol at 150℃; for 6h;19%
With 1,8-diazabicyclo[5.4.0]undec-7-ene; zinc(II) chloride In ethylene glycol at 150℃; for 6h;19%
With 1,8-diazabicyclo[5.4.0]undec-7-ene; zinc(II) chloride In ethylene glycol at 150℃; for 6h;19%
With 1,8-diazabicyclo[5.4.0]undec-7-ene; zinc(II) chloride In ethylene glycol at 150℃; for 6h;19%

3,5-Diamino-2,4,6-trimethylbenzenesulfonic acid Specification

The Benzenesulfonic acid,3,5-diamino-2,4,6-trimethyl-, with the CAS registry number 32432-55-6, is a kind of beige powder. Its product categories are including intermediates of dyes and pigments.

The physical properties of this chemical are as follows: (1)ACD/LogP: -1.16; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.48; (4)ACD/LogD (pH 7.4): -4.66; (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: 5; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 58.23; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 58.2 cm3; (15)Molar Volume: 165.5 cm3; (16)Polarizability: 23.07 ×10-24 cm3; (17)Surface Tension: 65.4 dyne/cm; (18)Density: 1.39 g/cm3; (19)Exact Mass: 230.072513; (20)MonoIsotopic Mass: 230.072513; (21)Topological Polar Surface Area: 115; (22)Heavy Atom Count: 15; (23)Complexity: 309.

When you are dealing with this chemical, you should be careful. For being a kind of harmful chemical, it may cause damage to health. This chemical is irritating to eyes, respiratory system and skin and may cause sensitization by inhalation and skin contact. If by inhalation, in contact with skin and if swallowed, it will harmful. Therefore, you should wear suitable protective clothing. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

Additionally, you could obtain the molecular structure by converting the following datas:
(1)Canonical SMILES: CC1=C(C(=C(C(=C1N)C)S(=O)(=O)O)C)N
(2)InChI: InChI=1S/C9H14N2O3S/c1-4-7(10)5(2)9(15(12,13)14)6(3)8(4)11/h10-11H2,1-3H3,(H,12,13,14)
(3)InChIKey: PKKGGWLTUCMSSD-UHFFFAOYSA-N 

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 4550mg/kg (4550mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 52(6), Pg. 85, 1987.

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