2,4,6-Trinitrobenzenesulfonic Acid supplier

Name
2,4,6-TRINITROBENZENESULFONIC ACID
EINECS 219-717-7
CAS No. 2508-19-2
Article Data5
CAS DataBase
Density 1.984 g/cm³
Solubility
Melting Point
Formula C6H3 N3 O9 S
Boiling Point °Cat760mmHg
Molecular Weight 293.171
Flash Point °C
Transport Information UN 3265 8
Appearance CLEAR TO SLIGHTLY HAZY YELLOW LIQUID
Safety A poison by rectal route. When heated to decomposition it emits toxic vapors of NO_x and SO_x.
Risk Codes 61-20/21-36-43
Molecular Structure
Hazard Symbols A poison.
Synonyms 2,4,6-Trinitrobenzene-1-sulfonicacid;2,4,6-Trinitrobenzenesulfonic acid;2,4,6-Trinitrophenylsulfonic acid;NSC 127994;Picryl sulfonic acid;Trinitrobenzenesulfonic acid;
PSA 200.21000
LogP 3.30830

Synthetic route

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

: 2508-19-2
2,4,6-trinitrobenzensulfonate

Conditions

Conditions	Yield
Stage #1: 2,4,6-trinitrochlorobenzene With sodium metabisulfite In ethanol for 4h; Reflux; Stage #2: With hydrogenchloride In acetone for 0.25h;	95%
With ethanol; sodium sulfite
With sodium hydrogensulfite
With sodium metabisulfite In ethanol

: silver nitrate

: 2508-19-2
2,4,6-trinitrobenzensulfonate

: 18681-53-3
silver 2,4,6-trinitrobenzenesulfonate

Conditions

Conditions	Yield
In water at 50℃; for 0.5h; Darkness;	98%

: 1222520-56-0
N-acetyl-1,6-anhydromuramyl-L-Ala-γ-D-Glu-L-Lys

: 2508-19-2
2,4,6-trinitrobenzensulfonate

: 1257317-25-1
N-acetyl-1,6-anhydromuramyl-L-Ala-γ-D-Glu-[N-ε-(2,4,6-trinitrophenyl)-L-lysine]

Conditions

Conditions	Yield
In methanol; water at 37℃; for 3h; pH=9.5; carbonate buffer;	97%

: 1,3-Propandiylbis(dimethylsulfonium)-bis(tetrafluoroborat)

: 2508-19-2
2,4,6-trinitrobenzensulfonate

: 1,3-Bis-propan-bis<2,4,6-trinitrobenzosulfonat>

Conditions

Conditions	Yield
	92%

: tetra-S-methyl-S,S'-ethane-1,2-diyl-bis-sulfonium; bis-tetrafluoroborate

: 2508-19-2
2,4,6-trinitrobenzensulfonate

: 1,2-Bis-ethan-bis<2,4,6-trinitrobenzosulfonat>

Conditions

Conditions	Yield
	80%

: 14353-86-7
iodine tris(trifluoroacetate)

: 363-72-4
Pentafluorobenzene

: 2508-19-2
2,4,6-trinitrobenzensulfonate

: bis(pentafluorophenyl)iodine 2,4,6-trinitrobenzenesulfonate

Conditions

Conditions	Yield
In trifluoroacetic acid 1.) 0 deg C, 1 h, 2.) RT, 72 h;	75%

...Expand

: D-Tyr-Val-Gly

: 2508-19-2
2,4,6-trinitrobenzensulfonate

: 137856-43-0
TNP-D-Tyr-L-Val-Gly

Conditions

Conditions	Yield
Stage #1: D-Tyr-Val-Gly; 2,4,6-trinitrobenzensulfonate With triethylamine In methanol; water Darkness; Stage #2: With hydrogenchloride In methanol; water pH=2;	50%

: 2508-19-2
2,4,6-trinitrobenzensulfonate

: C37H50N4O10S3

: C43H51N7O16S3

Conditions

Conditions	Yield
In water for 0.5h; Ambient temperature; pH 9.0;	35%

: 102614-53-9
[Sb(μ2-oxo)(phenyl)3]2

: 2508-19-2
2,4,6-trinitrobenzensulfonate

: (((NO2)3C6H2SO3)(C6H5)3SbO)2Sb(C6H5)3

Conditions

Conditions	Yield
With 2,2-dimethoxypropane In acetone suspending of Sb-compd. and sulfonic acid in acetone (room temp.), addn. of dimethoxypropane, stirring (12 h); partial evapn. (vac.), filtration, washing (ether);	32%

: 2508-19-2
2,4,6-trinitrobenzensulfonate

: 59-01-8
kanamycin A

: tetra N-(2,4,6-trinitrophenyl)kanamycin A

Conditions

Conditions	Yield
With pyridine In water at 70℃; for 0.333333h;	29%

: 186581-53-3, 908094-01-9
diazomethane

: 115-10-6
Dimethyl ether

: 2508-19-2
2,4,6-trinitrobenzensulfonate

: 13700-00-0
2,4,6-trinitro-benzenesulfonic acid ; trimethyloxonium salt

...Expand

: 30843-67-5
1-(2-chloro-ethyl)-[1,4]dithianium; chloride

: 2508-19-2
2,4,6-trinitrobenzensulfonate

: 1-vinyl-[1,4]dithianium; 2,4,6-trinitro-benzenesulfonate

: 558-30-5
2-methyl-1,2-epoxypropane

: 67-68-5
dimethyl sulfoxide

: 2508-19-2
2,4,6-trinitrobenzensulfonate

: C6H15O2S(1+)*C6H2N3O9S(1-)

...Expand

: 106-88-7
ethyloxirane

: 67-68-5
dimethyl sulfoxide

: 2508-19-2
2,4,6-trinitrobenzensulfonate

: C6H15O2S(1+)*C6H2N3O9S(1-)

...Expand

: 106-88-7
ethyloxirane

: 67-68-5
dimethyl sulfoxide

: 2508-19-2
2,4,6-trinitrobenzensulfonate

: C6H15O2S(1+)*C6H2N3O9S(1-)

...Expand

: 930-22-3
epoxybutene

: 67-68-5
dimethyl sulfoxide

: 2508-19-2
2,4,6-trinitrobenzensulfonate

: C6H13O2S(1+)*C6H2N3O9S(1-)

...Expand

: 96-09-3
styrene oxide

: 67-68-5
dimethyl sulfoxide

: 2508-19-2
2,4,6-trinitrobenzensulfonate

: C10H15O2S(1+)*C6H2N3O9S(1-)

...Expand

: 286-20-4
cyclohexane-1,2-epoxide

: 67-68-5
dimethyl sulfoxide

: 2508-19-2
2,4,6-trinitrobenzensulfonate

: C8H17O2S(1+)*C6H2N3O9S(1-)

...Expand

: 67-56-1
methanol

: 67-68-5
dimethyl sulfoxide

: 2508-19-2
2,4,6-trinitrobenzensulfonate

: C6H2N3O9S(1-)*C3H9OS(1+)

Conditions

Conditions	Yield
(i) ethyloxirane, (ii) /BRN= 1098229/; Multistep reaction;

...Expand

: 3017-70-7
2-bromo-3-methylbut-2-ene

: 2508-19-2
2,4,6-trinitrobenzensulfonate

: 35552-98-8
Trimethylvinyl-2,4,6-trinitrobenzolsulfonat

Conditions

Conditions	Yield
(i) Li, Et2O, (ii) PhN3, (iii) /BRN= 572358/, CH2Cl2; Multistep reaction;

: N-<2-Chlor-ethyl>-3.3'-dichlor-dipropylamin

: 2508-19-2
2,4,6-trinitrobenzensulfonate

: N-<2-Chlorethyl>-N-<3-Chlor-propyl>-isoxazolidinium

Conditions

Conditions	Yield
(i) H2O2, Ac2O, (ii) /BRN= 572358/; Multistep reaction;

: 14181-52-3
p-Methoxy-benzyl-dimethylsulfoniumbromid

: 2508-19-2
2,4,6-trinitrobenzensulfonate

: 109498-18-2
2,4,6-Trinitro-benzenesulfonate(4-methoxy-benzyl)-dimethyl-sulfonium;

: 38021-60-2
Triethyl-morpholin-4-ylmethyl-phosphonium; bromide

: 2508-19-2
2,4,6-trinitrobenzensulfonate

: 38021-61-3
2,4,6-Trinitro-benzenesulfonatetriethyl-morpholin-4-ylmethyl-phosphonium;

: 2508-19-2
2,4,6-trinitrobenzensulfonate

: (S)-Ethyl-methyl-((E)-propenyl)-sulfonium; chloride

: 57691-35-7
(S)-Ethylmethylpropylsulfonium-2,4,6-trinitrobenzolsulfonat

Conditions

Conditions	Yield
(i) H2, Pd, MeOH, (ii) /BRN= 572358/; Multistep reaction;

: 2508-19-2
2,4,6-trinitrobenzensulfonate

: 71232-92-3
C24H20B(1-)*C8H15O2S(1+)

: 2,4,6-Trinitro-benzenesulfonatecarboxymethyl-ethyl-((E)-propenyl)-sulfonium;

Conditions

Conditions	Yield
(i) nBu4N(1+)*ClO4(1-), acetone, (ii) aq. NaOH, (iii) /BRN= 572358/; Multistep reaction;

: 2,4,6-Trinitro-benzenesulfonatecarboxymethyl-ethyl-((E)-propenyl)-sulfonium;

: 2508-19-2
2,4,6-trinitrobenzensulfonate

: 2,4,6-Trinitro-benzenesulfonateethyl-methyl-((E)-propenyl)-sulfonium;

Conditions

Conditions	Yield
(i) nBu3N, acetone, (ii) /BRN= 572358/; Multistep reaction;

: 2508-19-2
2,4,6-trinitrobenzensulfonate

: (2S,4S)-4-Ethyl-2-methyl-6-oxo-[1,4]oxathian-4-ium; perchlorate

: 57691-35-7
(S)-Ethylmethylpropylsulfonium-2,4,6-trinitrobenzolsulfonat

Conditions

Conditions	Yield
Multistep reaction;

: 67-68-5
dimethyl sulfoxide

: 2508-19-2
2,4,6-trinitrobenzensulfonate

: 1464-53-5
rac-1,2,3,4-diepoxybutane

: C8H20O4S2(2+)*2C6H2N3O9S(1-)

...Expand

: 58-08-2
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione

: 2508-19-2
2,4,6-trinitrobenzensulfonate

: 94944-47-5
caffeine-picrylsulfonate ion-pair

Conditions

Conditions	Yield
In water for 0.333333h;

: 421-20-5
Methyl fluorosulfonate

: 13200-08-3
3,5-diacetoxy-4-phenyl-benzo[b]thiepine

: 2508-19-2
2,4,6-trinitrobenzensulfonate

: 64807-46-1
3,5-Diacetoxy-1-methyl-4-phenyl-1-benzothiepinium-trinitrobenzolsulfonat

Conditions

Conditions	Yield
1) ether, -10 deg C, 7d, 2) aceton, room temp.; Yield given. Multistep reaction;

...Expand

2,4,6-Trinitrobenzenesulfonic Acid Specification

The 2,4,6-Trinitrobenzenesulfonic Acid, with the CAS registry number 2508-19-2, is also known as Trinitrobenzenesulfonic acid;2,4,6-
Dinitrobenzenesulfonate;2,4,6-Trinitrobenzene-1-sulfonic acid;2,4,6-Trinitrobenzenesulfonic acid.It belongs to the product categories of Combinatorial Chemistry;Detection of Amines for Primary Amines;Synthetic Organic Chemistry.Its EINECS number is 219-717-7. What's more,Its systematic name is 2,4,6-Trinitrobenzenesulfonic Acid.It is a reagent that is used to neutralize peptide terminal amino groups.The 2,4,6-Trinitrobenzenesulfonic Acid is soluble in water. Solution exhibits a strong acidic reaction.A detonating explosive substance derived from an organic sulfonic acid. Primary hazard is blast of an instantaneous explosion, not flying projectiles or fragments. Under prolonged exposure to fire or heat the containers may explode violently.

2,4,6-Trinitrobenzenesulfonic acid is a nitroaryl oxidizing acid. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups.

Physical properties about 2,4,6-Trinitrobenzenesulfonic Acid are:(1)ACD/LogP: -0.828; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.33; (4)ACD/LogD (pH 7.4): -4.33; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 12; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.67; (13)Molar Refractivity: 55.202 cm³; (14)Molar Volume: 147.735 cm³.

The 2,4,6-Trinitrobenzenesulfonic acid is harmful and toxic if swallowed .and dangers by inhalation and in contact with skin.It is highly flammable ,explosive when dry.and causes burns.It is irritating to eyes and skin. and may cause harm to the unborn child.When you use it, wear suitable protective clothing, gloves and eye/face protection,Keep away from sources of ignition - No smoking,avoid exposure - obtain special instruction before use .In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES:O=S(=O)(O)c1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O;
(2)Std. InChI:InChI=1S/C6H3N3O9S/c10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h1-2H,(H,16,17,18);
(3)Std. InChIKey:NHJVRSWLHSJWIN-UHFFFAOYSA-N.

Product Name

2,4,6-TRINITROBENZENESULFONIC ACID

Synthetic route

2,4,6-Trinitrobenzenesulfonic Acid Specification

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