1,3,5-Triaminobenzene supplier

Name
1,3,5-TRIAMINOBENZENE
EINECS 203-610-7
CAS No. 108-72-5
Article Data48
CAS DataBase
Density 1.279
Solubility
Melting Point 84-85℃
Formula C6H9 N3
Boiling Point 393.2°C at 760 mmHg
Molecular Weight 123.158
Flash Point 230.2°C
Transport Information
Appearance
Safety Mutation data reported. When heated to decomposition it emits toxic vapors of NO_x.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3,5-Triaminobenzene;NSC 28676;sym-Triaminobenzene;
PSA 78.06000
LogP 2.17680

Synthetic route

: 99-35-4
1,3,5-trinitrobenzene

: 108-72-5
1,3,5-triaminobenzene

Conditions

Conditions	Yield
With hydrogen; nickel In ethyl acetate at 40℃; under 30002.4 Torr; for 12h;	100%
With hydrogenchloride; tin das Zinnchloruerdoppelsalz entsteht;
With nickel; ethyl acetate Hydrogenation;

: 618-87-1
3, 5-dinitroaniline

: 108-72-5
1,3,5-triaminobenzene

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In methanol under 30002.4 Torr;	100%
With palladium 10% on activated carbon; hydrogen In methanol at 20℃; under 3375.34 Torr; for 24h; Autoclave;	100%
With hydrogen; palladium on activated charcoal In tetrahydrofuran under 3800 Torr;	99%

: 626-40-4
3,5-dibromoaniline

: 108-72-5
1,3,5-triaminobenzene

Conditions

Conditions	Yield
With C24H12Cu2F9N4O7; tetrabutylammomium bromide; ammonia; caesium carbonate In water at 110 - 140℃; for 16h;	100%

: 626-39-1
1,3,5-trisbromobenzene

: 108-72-5
1,3,5-triaminobenzene

Conditions

Conditions	Yield
With C24H12Cu2F9N4O7; tetrabutylammomium bromide; ammonia; caesium carbonate In water; ethylene glycol at 110 - 140℃; for 16h;	90%

: 88-89-1
2,4,6-Trinitrophenol

: 108-72-5
1,3,5-triaminobenzene

Conditions

Conditions	Yield
With ammonium formate; zinc In methanol at 60℃; for 1h;	85.8%

: tri-tert-butyl N',N'',N'''-1,3,5-triaminobenzenetricarbamate

: 108-72-5
1,3,5-triaminobenzene

Conditions

Conditions	Yield
With hydrogenchloride In ethanol; water	75%

: 88-88-0
2,4,6-trinitrochlorobenzene

: 108-72-5
1,3,5-triaminobenzene

Conditions

Conditions	Yield
With hydrogenchloride; tin das Zinnchloruerdoppelsalz entsteht;
With hydrogenchloride; iron at 60℃;

: 621-22-7
(1Z)-cyclohexane-1,3,5-trione trioxime

: 108-72-5
1,3,5-triaminobenzene

Conditions

Conditions	Yield
With hydrogen; nickel In acetic acid butyl ester at 80℃; for 3h; Yield given;
With palladium 10% on activated carbon; hydrogen In methanol for 8h; Solvent; Reagent/catalyst;

: 7647-01-0
hydrogenchloride

: 99-35-4
1,3,5-trinitrobenzene

tin: tin

: 108-72-5
1,3,5-triaminobenzene

...Expand

: 7647-01-0
hydrogenchloride

: 88-88-0
2,4,6-trinitrochlorobenzene

iron turnings: iron turnings

: 108-72-5
1,3,5-triaminobenzene

Conditions

Conditions	Yield
at 60℃;

...Expand

: 13556-15-5
1,3,5-triazido-benzene

: 108-72-5
1,3,5-triaminobenzene

Conditions

Conditions	Yield
Stage #1: 1,3,5-triazido-benzene With hydrogenchloride; zinc In ethanol; water at 0℃; for 7h; Stage #2: With sodium hydroxide; water In ethanol Product distribution / selectivity;

: 57-13-6
urea

: 108-72-5
1,3,5-triaminobenzene

Conditions

Conditions	Yield
at 390℃; under 60006 Torr;

: 33786-89-9
5-chloro-1,3-benzenediamine

: ammonium hydroxide

: 108-72-5
1,3,5-triaminobenzene

Conditions

Conditions	Yield
copper(I) chloride
copper(I) chloride

: 33786-89-9
5-chloro-1,3-benzenediamine

: ammonium hydroxide

: 1317-39-1, 146060-06-2
copper(I) oxide

: 108-72-5
1,3,5-triaminobenzene

...Expand

: 33786-89-9
5-chloro-1,3-benzenediamine

: 108-72-5
1,3,5-triaminobenzene

Conditions

Conditions	Yield
With ammonia; copper(I) chloride

: 99-34-3
3,5-dinitrobenzoic acid

: 108-72-5
1,3,5-triaminobenzene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium azide; sulfuric acid / chloroform / 3 h / Reflux 2: palladium 10% on activated carbon; hydrogen / tetrahydrofuran; methanol / 24 h / 25 °C / 7600.51 Torr View Scheme
Multi-step reaction with 2 steps 1: sulfuric acid; sodium azide / chloroform / 5 h / 80 °C 2: hydrogen; 10% Pd/C / tetrahydrofuran / 3800.26 Torr View Scheme
Multi-step reaction with 2 steps 1: sulfuric acid; sodium azide / chloroform / 3 h / 25 - 80 °C 2: hydrogen; palladium 10% on activated carbon / tetrahydrofuran; methanol / 24 h / 25 °C / 7600.51 Torr View Scheme

: 2,4,6-trinitrobenzoic acid sodium salt

: 108-72-5
1,3,5-triaminobenzene

Conditions

Conditions	Yield
With 1% Pd on activated carbon; hydrogen In water at 49.84℃; under 3750.38 Torr; Mechanism; Autoclave;

: 2,4,6-trinitrobenzoic acid sodium salt

A: 108-72-5
1,3,5-triaminobenzene

B: 621-22-7
(1Z)-cyclohexane-1,3,5-trione trioxime

C: 3,5-bis(hydroxyamino)aniline

D: 5-(hydroxyamino)benzene-1,3-diamine

E: 98096-07-2
1,3,5-tris(hydroxyamino)benzene

F: (1E,3E,5E)-cyclohexane-1,3,5-trione trioxime

Conditions

Conditions	Yield
With 5% Pd/C; hydrogen In water at 49.84℃; under 3750.38 Torr; Autoclave;	A 14 %Spectr. B 9 %Spectr. C 5 %Spectr. D 11 %Spectr. E 1 %Spectr. F 60 %Spectr.

...Expand

: 129-66-8
2,4,6-trinitrobenzoic acid

: 108-72-5
1,3,5-triaminobenzene

Conditions

Conditions	Yield
Stage #1: 2,4,6-trinitrobenzoic acid With sodium hydrogencarbonate In water Stage #2: With 0.5% Pd/Sibunit carbon material; hydrogen In water at 69.84℃; under 3750.38 Torr; Catalytic behavior; Temperature; Autoclave;
With palladium on activated charcoal; hydrogen

: 2,4,6-trinitrobenzoic acid sodium salt

A: 108-72-5
1,3,5-triaminobenzene

B: 2,4-diamino-6-nitrobenzoic acid

C: 2,6-diamino-4-hydroxyaminobenzoic acid

D: 2,4-diamino-6-[(3,5-diaminophenyl)-N,N,O-azoxy]benzoic acid

E: N1-(3,5-diaminophenyl)benzene-1,3,5-triamine

F: 2,8,14‐triazatetracyclo[13.3.1.13,7.19,13]henicosa‐1(19),3(21),4,6,9(20),10,12,15,17‐nonaene‐5,11,17‐triamine

Conditions

Conditions	Yield
With 5%-palladium/activated carbon; hydrogen In water at 49.84℃; under 3750.38 Torr; Autoclave;

...Expand

: 118-96-7
2,4,6-Trinitrotoluene

: 108-72-5
1,3,5-triaminobenzene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: nitric acid; potassium chlorate 2: palladium on activated charcoal; hydrogen View Scheme

: 108-31-6
maleic anhydride

: 108-72-5
1,3,5-triaminobenzene

: 21217-67-4
1,3,5-tris(maleimido)benzene

Conditions

Conditions	Yield
With cobalt(II) acetate; acetic anhydride; triethylamine In N,N-dimethyl-formamide at 50℃; for 20h; Inert atmosphere; Darkness;	98%

: 2684-02-8
benzenediazonium

: 108-72-5
1,3,5-triaminobenzene

: 2,4,6-trisazophenyl-1,3,5-triaminobenzene

Conditions

Conditions	Yield
In water	97%

: 17920-90-0
3,3,7-trimethyl-oct-6-enal

: 108-72-5
1,3,5-triaminobenzene

: N,N',N''-Tris-[3,3,7-trimethyl-oct-6-en-(E)-ylidene]-benzene-1,3,5-triamine

Conditions

Conditions	Yield
With 4 A molecular sieve In tetrahydrofuran for 24h; Ambient temperature;	96%

: 674-82-8
4-methyleneoxetan-2-one

: 108-72-5
1,3,5-triaminobenzene

: 892403-13-3
1,3,5-trisacetoacetamidobenzene

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide at 50℃; for 2h;	92.8%
In N,N-dimethyl-formamide at 20℃; for 12h;	29%

: 108-72-5
1,3,5-triaminobenzene

: 13029-08-8
2,2'-Dichlorobiphenyl

: 148044-07-9
1,3,5-tris(9H-carbazol-9-yl)benzene

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); C33H48N7P; sodium t-butanolate In toluene at 80℃; for 24h; Inert atmosphere; Schlenk technique; Glovebox;	92%

: 57573-52-1
4-methylbenzene diazonium

: 108-72-5
1,3,5-triaminobenzene

: 2,4,6-triazo-p-tolyl-1,3,5-triaminobenzene

Conditions

Conditions	Yield
In water	91%

: 108-72-5
1,3,5-triaminobenzene

: 7169-06-4
2,3-dimethoxybenzoyl chloride

: 1,3,5-tris(2,3-dimethoxybenzamido)benzene

Conditions

Conditions	Yield
With triethylamine In dichloromethane	88%
With triethylamine In dichloromethane

: 1204522-60-0
6-[4-[(4-methoxyphenyl)azo]phenoxy]hexanoyl chloride

: 108-72-5
1,3,5-triaminobenzene

: 1204522-51-9
1,3,5-tris{[6-[4-[(4-methoxyphenyl)azo]phenoxy]hexanoyl]amino}benzene

Conditions

Conditions	Yield
With triethylamine; lithium chloride In 1-methyl-pyrrolidin-2-one at 20℃;	87%

: 108-72-5
1,3,5-triaminobenzene

: 6-hexyl-2-hydroxy-1-naphtaldehyde

: C57H63N3O3

Conditions

Conditions	Yield
With acetic acid In ethanol Reflux;	85%

: 108-72-5
1,3,5-triaminobenzene

: 1073-70-7
4-chlorophenylhydrazine hydrochloride

: 1,3,5-triamino-2-(4'-chlorophenyl)benzene

Conditions

Conditions	Yield
With air In dimethyl sulfoxide at 25℃; for 24h;	82%

: 108-72-5
1,3,5-triaminobenzene

: 108-24-7
acetic anhydride

: 26243-62-9
N,N,N-triacetyl-1,3,5-triaminobenzene

Conditions

Conditions	Yield
In ethanol at 30℃; for 3h;	82%

: 108-72-5
1,3,5-triaminobenzene

: 93-97-0
benzoic acid anhydride

: N,N,N-tribenzoyl-1,3,5-triaminobenzene

Conditions

Conditions	Yield
In methanol at 0℃; for 20h;	81%

: 108-72-5
1,3,5-triaminobenzene

: 4755-77-5
Ethyl oxalyl chloride

: 67451-23-4
benzene-1,3,5-tris(oxamic acid) triethyl ester

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 90℃; for 2h;	80%
With triethylamine In N,N-dimethyl-formamide

: 108-72-5
1,3,5-triaminobenzene

: 133753-22-7, 143948-92-9
2-[2,6-Di-tert-butyl-5-(2,2-dimethyl-propionyl)-4-oxo-4H-[1,3]dioxin-2-yl]-4,4-dimethyl-pent-1-ene-1,3-dione

: 693778-85-7
1,3,5-tris-(1,3,5,7-tetra-t-butyl-2,6,9-trioxabicyclo[3.3.1]nona-3,7-dien-4-yl-carbonylamino)-benzene

Conditions

Conditions	Yield
In tetrahydrofuran; acetonitrile at 20℃; for 240h;	80%

: 108-72-5
1,3,5-triaminobenzene

: 97-72-3
2-Methylpropionic anhydride

: 745070-67-1
1,3,5-tris[2-methylpropionylamino]benzene

Conditions

Conditions	Yield
In methanol at 100℃; for 5h;	80%

: 108-72-5
1,3,5-triaminobenzene

: 369-57-3
benzenediazonium tetrafluoroborate

: 2,4,6-trisazophenyl-1,3,5-triaminobenzene

Conditions

Conditions	Yield
In methanol at 25℃; for 0.166667h;	79.2%

: 108-72-5
1,3,5-triaminobenzene

: 151237-05-7
3,4,5-tris(dodec-1-yloxy)aniline

: 2,4,6-tris((3,4,5-tris(dodecyloxy)phenyl)diazenyl)benzene-1,3,5-triamine

Conditions

Conditions	Yield
Stage #1: 3,4,5-tris(dodec-1-yloxy)aniline With trifluoroacetic acid In dichloromethane at 0℃; for 0.166667h; Stage #2: With tert.-butylnitrite In dichloromethane at 0 - 5℃; for 1h; Stage #3: 1,3,5-triaminobenzene With potassium carbonate In dichloromethane at 0 - 20℃; for 12.15h;	79%

: 108-72-5
1,3,5-triaminobenzene

: 13139-14-5
Boc-Trp-OH

: C54H63N9O9

Conditions

Conditions	Yield
With benzotriazol-1-ol; dicyclohexyl-carbodiimide In N,N-dimethyl-formamide at 20℃; for 48h;	74.6%

: 2033-24-1
cycl-isopropylidene malonate

: 108-72-5
1,3,5-triaminobenzene

: 149-73-5
trimethyl orthoformate

: C27H27N3O12

Conditions

Conditions	Yield
Stage #1: cycl-isopropylidene malonate; trimethyl orthoformate for 1h; Reflux; Stage #2: 1,3,5-triaminobenzene for 2h; Reflux;	71%

...Expand

: 108-72-5
1,3,5-triaminobenzene

: 1538-75-6
2,2-dimethylpropanoic anhydride

: 1,3,5-tris(2,2-dimethylpropionylamino)benzene

Conditions

Conditions	Yield
In methanol at 20℃; for 2h;	65%

: 108-72-5
1,3,5-triaminobenzene

: 459-44-9
4-methylbenzenediazonium tetrafluoroborate

: 2,4,6-triazo-p-tolyl-1,3,5-triaminobenzene

Conditions

Conditions	Yield
In methanol at 20℃; for 0.333333h;	64.4%

: 108-72-5
1,3,5-triaminobenzene

: 459-64-3
4-methoxybenzenediazonium tetrafluoroborate

: 2,4,6-triazo-p-methoxyphenyl-1,3,5-triaminobenzene

Conditions

Conditions	Yield
In methanol at 25℃; for 0.166667h;	64.2%

: 108-72-5
1,3,5-triaminobenzene

: 199169-42-1
1,3-Dioxo-7-{4-[(E)-2-(2-trimethylsilanyl-ethoxycarbonyl)-vinyl]-phenyl}-1H,3H-benzo[de]isochromene-6-carboxylic acid 2-trimethylsilanyl-ethyl ester

: C102H111N3O18Si6

Conditions

Conditions	Yield
With zinc diacetate In toluene Heating;	64%

: 17333-79-8
p-methoxybenzenediazonium

: 108-72-5
1,3,5-triaminobenzene

: 2,4,6-triazo-p-methoxyphenyl-1,3,5-triaminobenzene

Conditions

Conditions	Yield
In water	64%

1,3,5-Triaminobenzene Consensus Reports

Reported in EPA TSCA Inventory.

1,3,5-Triaminobenzene Specification

The 1,3,5-Triaminobenzene, with the CAS registry number 2634-33-5,is also known as 1,3,5-Benzenetriamine; sym-Triaminobenzene. It belongs to the product categories of Organic matters. This chemical's molecular formula is C₆H₉N₃ and molecular weight is 123.16. Its EINECS number is 203-610-7.What's more,Its systematic name is 1,3,5-Triaminobenzene.When heated to decomposition it emits toxic vapors of NO_x.

Physical properties about 1,2-Benzisothiazolin-3-one are:
(1)ACD/LogP: -1.788; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.92; (4)ACD/LogD (pH 7.4): -1.79; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.87; (8)ACD/KOC (pH 7.4): 2.53; (9)#H bond acceptors: 3; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.743; (13)Molar Refractivity: 38.961 cm3; (14)Molar Volume: 96.274 cm3; (15)Surface Tension: 76.5540008544922 dyne/cm; (16)Density: 1.279 g/cm3; (17)Flash Point: 230.16 °C; (18)Enthalpy of Vaporization: 64.307 kJ/mol; (19)Boiling Point: 393.22 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:Nc1cc(N)cc(N)c1;
(2)Std. InChI:InChI=1S/C6H9N3/c7-4-1-5(8)3-6(9)2-4/h1-3H,7-9H2;
(3)Std. InChIKey:RPHKINMPYFJSCF-UHFFFAOYSA-N.

Product Name

1,3,5-TRIAMINOBENZENE

Synthetic route

1,3,5-Triaminobenzene Consensus Reports

1,3,5-Triaminobenzene Specification

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