Name: 2-(4-Iodophenyl)-3-(4-nitrophenyl)-5-phenyltetrazolium chloride
SKU: 146-68-9

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Basic Information

Molecular Structure:
CAS No.:	146-68-9
Name:	2-(4-Iodophenyl)-3-(4-nitrophenyl)-5-phenyltetrazolium chloride

Formula:	C₁₉H₁₃ClIN₅O₂
Molecular Weight:	505.702
Synonyms:	2H-Tetrazolium,2-(4-iodophenyl)-3-(4-nitrophenyl)-5-phenyl-, chloride (9CI);2H-Tetrazolium,2-(p-iodophenyl)-3-(p-nitrophenyl)-5-phenyl-, chloride (8CI);2-(4-Iodophenyl)-3-(4-nitrophenyl)-5-phenyl-2H-tetrazolium chloride;2-(4-Iodophenyl)-3-(4-nitrophenyl)-5-phenyltetrazolium chloride;2-(p-Iodophenyl)-3-(p-nitrophenyl)-5-phenyltetrazolium chloride;3-(p-Nitrophenyl)-2-(p-iodophenyl)-5-phenyltetrazolium chloride;Iodonitrotetrazolium;Iodonitrotetrazolium purple;Iodonitrotetrazolium violet;NSC 27620;p-Iodonitrotetrazolium violet;
EINECS:	205-676-2
Melting Point:	240 °C (dec.)(lit.)
Boiling Point:	567.5 °C at 760 mmHg
Flash Point:	297 °C
Solubility:	soluble in water
Appearance:	slightly yellow powder
Hazard Symbols:	F, Xn, Xi
Risk Codes:	20/21/22-68/20/21/22-36/37/38-11
Safety:	36/37-36/37/39-26-22-16
Transport Information:	UN 2811
PSA:	80.41000
LogP:	1.25100

Synthetic route

: 544-16-1
n-Butyl nitrite

: 136196-46-8
INT-formazan

: 146-68-9
2-(4-iodophenyl)-3-(4-nitrophenyl)-5-phenyl-3H-tetrazol-2-ium chloride

Conditions

Conditions	Yield
With hydrogenchloride; ethanol

: 146-68-9
2-(4-iodophenyl)-3-(4-nitrophenyl)-5-phenyl-3H-tetrazol-2-ium chloride

: 136196-46-8
INT-formazan

Conditions

Conditions	Yield
In water Kinetics; Reduction; Microbiological reaction;

: 7631-95-0
sodium molybdate dihydrate

: 3316-09-4
1,2-dihydroxy-4-nitrobenzene

: 146-68-9
2-(4-iodophenyl)-3-(4-nitrophenyl)-5-phenyl-3H-tetrazol-2-ium chloride

: [2-(4-iodophenyl)-3-(4-nitrophenyl)-5-phenyl-2H-tetrazolium][MoO2(4-nitrocatechol(-2H))2]

Conditions

Conditions	Yield
In water mixing of aq. solns. of Na2MoO4*2H2O, 4-nitrocatechol and 2-(4-iodophenyl)-3-(4-nitrophenyl)-5-phenyl-2H-tetrazolium chloride in acidic medium (pH 2.8 - 4.0); pptn., filtration, washing with cold water, drying at 75-80°C;

...Expand

: 146-68-9
2-(4-iodophenyl)-3-(4-nitrophenyl)-5-phenyl-3H-tetrazol-2-ium chloride

: 7781-49-9
INT-formazan

Conditions

Conditions	Yield
With Gerovital H3; xanthine oxidase; xanthin at 25℃; for 0.166667h; pH=7.4; aq. phosphate buffer; Enzymatic reaction;
With potassium superoxide; C11H15CuNO5 In dimethyl sulfoxide pH=7.1; borate buffer;

: iron(III) ammonium sulfate dodecahydrate

: 3316-09-4
1,2-dihydroxy-4-nitrobenzene

: 146-68-9
2-(4-iodophenyl)-3-(4-nitrophenyl)-5-phenyl-3H-tetrazol-2-ium chloride

: Fe(3+)*3C6H3NO4(2-)*3C19H13IN5O2(1+)

Conditions

Conditions	Yield
With sulfuric acid In water

...Expand

Raw Materials

136196-46-8

544-16-1

Downstream Products

7781-49-9

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Specification

Iodonitrotetrazolium, with the CAS NO.146-68-9, its synonyms are 2-(p-Iodophenyl)-3-(p-nitrophenyl)-5-phenyltetrazolium
chloride; Iodonitrotetrazolium chloride; Iodonitrotetrazolium purple; Iodonitrotetrazolium violet; 2-(4-Iodophenyl)-3-(4-nitrophenyl)-5-phenyltetrazolium chloride; 2-(p-Iodophenyl)-3-(p-nitrophenyl)-5-(phenyl)-2H-tetrazolium; 2H-Tetrazolium, 2-(4-iodophenyl)-3-(4-nitrophenyl)-5-phenyl-, chloride. Iodonitrotetraolium is an artificial electron acceptor which can be utilized in a colorimetric assay to determine the concentration of protein in a solution. It can be reduced by succinate dyhydrogenase to Forazan.

Physical properties about Iodonitrotetrazolium are: (1)ACD/LogP: 3.278; (2)ACD/LogD (pH 5.5): 3.28; (3)ACD/LogD (pH 7.4): 3.28; (4)ACD/BCF (pH 5.5): 182.60; (5)ACD/BCF (pH 7.4): 182.60; (6)ACD/KOC (pH 5.5): 1446.74; (7)ACD/KOC (pH 7.4): 1446.74; (8)#H bond acceptors: 7; (9)#Freely Rotating Bonds: 4;

When you are using this chemical, please be cautious about it as the following:
1. Wear suitable protective clothing and gloves;
2. Wear suitable protective clothing, gloves and eye/face protection;
3. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
4. Do not breathe dust;
5.Keep away from sources of ignition - No smoking;

You can still convert the following datas into molecular structure:(1)InChI=1S/C19H13IN5O2.ClH/c20-15-6-8-16(9-7-15)23-21-19(14-4-2-1-3-5-14)22-24(23)17-10-12-18(13-11-17)25(26)27;/h1-13H;1H/q+1;/p-1;
(2)InChIKey=JORABGDXCIBAFL-UHFFFAOYSA-M; (3)Smilesc1cc(c2n[n+](c3ccc(cc3)I)n(n2)c2ccc(cc2)[N+](=O)[O-])ccc1.[ClH-]