CAS No.32432-55-6,3,5-Diamino-2,4,6-trimethylbenzenesulfonic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	32432-55-6
Name:	3,5-Diamino-2,4,6-trimethylbenzenesulfonic acid
Article Data:	4

Formula:	C₉H₁₄N₂O₃S
Molecular Weight:	230.288
Synonyms:	2,4-Diamino-1,3,5-trimethylbenzene-6-sulfonicacid;2,6-Diamino-1,3,5-trimethylbenzene-4-sulfonic acid;Diaminomesitylenesulfonicacid;
EINECS:	251-039-7
Density:	1.39 g/cm³
Melting Point:	169-171 °C(lit.)
Appearance:	Solid.
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	114.79000
LogP:	3.26610

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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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%

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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.