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298-96-4

Basic Information
CAS No.: 298-96-4
Name: 2,3,5-Triphenyltetrazolium chloride
Article Data: 24
Molecular Structure:
Molecular Structure of 298-96-4 (2,3,5-Triphenyltetrazolium chloride)
Formula: C19H15N4Cl
Molecular Weight: 334.808
Synonyms: 2,3,5-Triphenyl-2H-tetrazoliumchloride (6CI);2H-Tetrazolium, 2,3,5-triphenyl-, chloride (8CI,9CI);1,3,5-Triphenyl-2H-tetrazoliumchloride;Red tetrazolium;Tetrazoliumchloride;Tetrazolium red;Urocheck;Uroscreen;Vitastain;Triphenyltetrazolium chloride;
EINECS: 206-071-6
Density: 1.1704 (rough estimate)
Melting Point: 250 °C(lit.)
Boiling Point: >360
Flash Point: 91.7oC
Solubility: soluble in water
Appearance: white powder
Hazard Symbols: IrritantXi,HarmfulXn
Risk Codes: 36/37/38-20/21/22
Safety: 26-36
PSA: 34.59000
LogP: 0.21500
Synthetic route
531-52-2

1,3,5-triphenylformazan

298-96-4

triphenyltetrazolium chloride

Conditions
ConditionsYield
With thallium(III) acetate In acetic acid95%
With sodium hydroxide; chlorine In ethanol at -5 - -1℃; for 0.666667h;92%
With N-chloro-succinimide In dichloromethane; water at 0℃; for 5h;90%
49624-20-6

1,3,5-triphenylformazan

298-96-4

triphenyltetrazolium chloride

Conditions
ConditionsYield
With N-chlorobenzotriazole In benzene for 0.25h; Heating;88%
With hydrogenchloride; isopentyl nitrite In chloroform40%
128-09-6

N-chloro-succinimide

531-52-2

1,3,5-triphenylformazan

298-96-4

triphenyltetrazolium chloride

Conditions
ConditionsYield
With ethyl acetate
3481-09-2

N-chlorophthalimide

531-52-2

1,3,5-triphenylformazan

298-96-4

triphenyltetrazolium chloride

Conditions
ConditionsYield
With ethyl acetate
507-40-4

tert-butylhypochlorite

531-52-2

1,3,5-triphenylformazan

298-96-4

triphenyltetrazolium chloride

Conditions
ConditionsYield
With potassium hydroxide; chloroform

triphenyltetrazolium borate

298-96-4

triphenyltetrazolium chloride

Conditions
ConditionsYield
With hydrogenchloride1.7 g
7647-01-0

hydrogenchloride

531-52-2

1,3,5-triphenylformazan

110-46-3

isopentyl nitrite

298-96-4

triphenyltetrazolium chloride

100-52-7

benzaldehyde

62-53-3

aniline

100-63-0

phenylhydrazine

298-96-4

triphenyltetrazolium chloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium nitrite / water / 2 h / 20 °C
2: N-chloro-succinimide / water; dichloromethane / 5 h / 0 °C
View Scheme
Downstream Products
588-64-7
531-52-2
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    Product name: 2,3,5-Triphenyl-2H-Tetrazolium Chloride CAS No.:298-96-4 Molecule Formula:C19H15ClN4 Molecule Weight:334.80 Purity: 99.0% Package: 25kg/drum Description:White crystalline powder Manufacture Standards:Enterprise Standard

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Toxicity Data With Reference

1.    

ivn-mus LD50:5600 µg/kg

    CSLNX*    U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#00925 .

Consensus Reports

Reported in EPA TSCA Inventory.

Specification

1.Introduction of 2,3,5-Triphenyltetrazolium chloride

2,3,5-Triphenyltetrazolium chloride, with its CAS NO.298-96-4, is a kind of White to yellow powder . It has synonyms of 2,3,5-Triphenyl-2H-tetrazoliumchloride (6CI);2H-Tetrazolium, 2,3,5-triphenyl-, chloride (8CI,9CI) and 1,3,5-Triphenyl-2H-tetrazoliumchloride.2,3,5-Triphenyltetrazolium chloride should be stored in shady and cool warehouse and mainly used as analytical reagents and chromatographic analysis of reagent.

2.Properties of 2,3,5-Triphenyltetrazolium chloride

(1) Molecular Weight 334.8022 [g/mol]  (2) Molecular Formula C19H15ClN4  (3) H-Bond Acceptor 3

(4) Rotatable Bond Count 3  (5) Exact Mass 334.098524  (6) MonoIsotopic Mass 334.098524

(7) Topological Polar Surface Area 34.6 (8) Heavy Atom Count 24 (9) Complexity 330 (10) Covalently-Bonded Unit Count 2

3.Structure descriptors of 2,3,5-Triphenyltetrazolium chloride

IUPAC Name: 2,3,5-triphenyltetrazol-2-ium chloride

InChI: InChI=1S/C19H15N4.ClH/c1-4-10-16(11-5-1)19-20-22(17-12-6-2-7-13-17)23(21-19)18-14-8-3-9-15-18;/h1-15H;1H/q+1;/p-1

InChIKey: PKDBCJSWQUOKDO-UHFFFAOYSA-MCanonical SMILES : C1=CC=C(C=C1)C2=NN([N+](=N2)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]
 

4.Safety information of 2,3,5-Triphenyltetrazolium chloride

Hazard Codes:IrritantXi,HarmfulXn
Risk Statements:
20: Harmful by inhalation
21: Harmful in contact with skin
22: Harmful if swallowed
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing