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2002-03-1

2002-03-1 Structure

2002-03-1 Structure
IdentificationBack Directory
[Name]

2-AMINO-5-PHENYL-1 3 4-THIADIAZOLE 96
[CAS]

2002-03-1
[Synonyms]

NSC 677
2-Amino-5-phenyl-1,3,4-thiazole
5-Phenyl-1,3,4-thiadiazole-2-amine
5-Phenyl-2-amino-1,3,4-thiadiazole
1,3,4-thiadiazol-2-amine, 5-phenyl-
2-Amino-5-phenyl-1,3,4-thiadiazole,97%
2-AMino-5-phenyl-1,3,4-thiadiazole 96%
2-AMINO-5-PHENYL-1 3 4-THIADIAZOLE 96
[Molecular Formula]

C8H7N3S
[MDL Number]

MFCD00205278
[MOL File]

2002-03-1.mol
[Molecular Weight]

177.23
Chemical PropertiesBack Directory
[Melting point ]

223-227 °C(lit.)
[Boiling point ]

359.0±25.0 °C(Predicted)
[density ]

1.333±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C, protect from light
[solubility ]

soluble in Dimethylformamide
[form ]

powder to crystal
[pka]

2.90±0.10(Predicted)
[color ]

White to Yellow to Orange
[λmax]

267nm(H2SO4 aq.)(lit.)
[InChI]

InChI=1S/C8H7N3S/c9-8-11-10-7(12-8)6-4-2-1-3-5-6/h1-5H,(H2,9,11)
[InChIKey]

UHZHEOAEJRHUBW-UHFFFAOYSA-N
[SMILES]

S1C(C2=CC=CC=C2)=NN=C1N
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

2934999090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

2-Amino-5-phenyl-1,3,4-thiadiazole may be used for the synthesis of 1,3,4-thiadiazole derivatives.
[General Description]

2-Amino-5-phenyl-1,3,4-thiadiazole on condensation with benzaldehyde (SPT), 4-nitrobenzaldehyde (SNT), 4-methoxybenzaldehyde (SMT), 2-hydroxybenzaldehyde (SSTH) or 2-hydroxyacetophenone affords Schiff′s bases. Its molecular geometry and vibrational frequencies have been evaluated using the Hartree-Fock and density functional method (B3LYP). 2-Amino-5-phenyl-1,3,4-thiadiazole has been reported to inhibit the corrosion of mild steel in 0.5M H2SO4 and 1.0M HCl. Corrosion inhibition has been examined using potentiodynamic polarization and electrochemical impedance spectroscopy (EIS).
Spectrum DetailBack Directory
[Spectrum Detail]

2-AMINO-5-PHENYL-1 3 4-THIADIAZOLE 96(2002-03-1)1HNMR
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