| Identification | More | [Name]
3-Amino-5-mercapto-1,2,4-triazole | [CAS]
16691-43-3 | [Synonyms]
3-AMINO-1,2,4-TRIAZOLE-5-THIOL
3-AMINO-4H-1,2,4-TRIAZOLE-5-THIOL
3-AMINO-5-MERCAPTO-1,2,4-TRIAZOLE
3-AMINO-5-MERCAPTO-1H-1,2,4-TRIAZOLE
5-AMINO-1H-1,2,4-TRIAZOLE-3-THIOL
5-AMINO-4H-1,2,4-TRIAZOLE-3-THIOL
5-MERCAPTO-3-AMINO, 1,2,4-TRIAZOLE
LABOTEST-BB LT00007791
1,2-dihydro-5-amino-3h-1,2,4-triazole-3-thione
2,4-Triazolidine-3-thione,5-imino-1
4-triazole-3-thione,1,2-dihydro-5-amino-3h-2
4-triazole-3-thione,5-amino-1,2-dihydro-3h-2
4-triazolidine-3-thione,5-imino-2
5-amino-s-triazole-3-thio
5-imino-2-triazolidine-3-thione
ent61388
iminothiourazole
3-Amino-5-mercapto-1,2,4-triazole,tech.
3H-1,2,4-Triazole-3-thione, 5-amino-1,2-dihydro-
3H-1,2,4-Triazole-3-thione,5-amino-1,2-dihydro-(9CI) | [EINECS(EC#)]
240-735-6 | [Molecular Formula]
C2H4N4S | [MDL Number]
MFCD00005231 | [Molecular Weight]
116.14 | [MOL File]
16691-43-3.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light beige crystalline powder | [Melting point ]
>300 °C(lit.)
| [Boiling point ]
201.2±23.0 °C(Predicted) | [density ]
1.420 (estimate) | [refractive index ]
1.5605 (estimate) | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [solubility ]
water: soluble25mg/mL, clear, faintly yellow to yellow | [form ]
Crystalline Powder | [pka]
12.57±0.20(Predicted) | [color ]
White to light beige | [Water Solubility ]
SOLUBLE IN HOT WATER | [Detection Methods]
KPLC,NMR | [BRN ]
112404 | [InChI]
InChI=1S/C2H4N4S/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7) | [InChIKey]
WZUUZPAYWFIBDF-UHFFFAOYSA-N | [SMILES]
N1C(N)=NC(=S)N1 | [LogP]
0.347 (est) | [CAS DataBase Reference]
16691-43-3(CAS DataBase Reference) | [EPA Substance Registry System]
16691-43-3(EPA Substance) |
| Questions And Answer | Back Directory | [Uses]
3-Amino-5-mercapto-1,2,4-triazole is used as a corrosion inhibitor. It can also be used as a reactant in the synthesis of triazole derivatives. |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn,F | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
R11:Highly Flammable.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S16:Keep away from sources of ignition-No smoking . | [WGK Germany ]
3
| [RTECS ]
XZ5357500
| [F ]
13 | [TSCA ]
Yes | [HS Code ]
29339990 |
| Hazard Information | Back Directory | [Chemical Properties]
white to light beige crystalline powder | [Synthesis Reference(s)]
Journal of Heterocyclic Chemistry, 26, p. 355, 1989 DOI: 10.1002/jhet.5570260216 | [General Description]
3-Amino-1,2,4-triazole-5-thiol inhibits corrosion of copper in aerated acidic chloride pickling solutions. | [Purification Methods]
Recrystallise the triazole from H2O and dry it in vacuo. The acetyl derivative has m 325o(dec) after recrystallisation from H2O. [Beilstein 26 III/IV 1351.] It has also been recrystallised from EtOH/H2O (3:1, 1g in 50 mL, 50% recovery), m 300-302o (dec subject to heating rate), ( max 263nm, log 4.12). The S-benzyl derivative, when crystallised from *C6H6/EtOH (20:1), or CHCl3/Et2O has m 109-111o [Godfrey & Kruzer J Chem Soc 3437 1960, Beilstein 26 III/IV 1351.] | [Toxics Screening Level]
The initial threshold screening level (ITSL) for 3-amino-5-mercapto-1 ,2,4-triazole is 7μg/m3 based on an annual averaging time. |
| Spectrum Detail | Back Directory | [Spectrum Detail]
3-Amino-5-mercapto-1,2,4-triazole(16691-43-3)MS
3-Amino-5-mercapto-1,2,4-triazole(16691-43-3)13CNMR
3-Amino-5-mercapto-1,2,4-triazole(16691-43-3)IR1
3-Amino-5-mercapto-1,2,4-triazole(16691-43-3)IR2
3-Amino-5-mercapto-1,2,4-triazole(16691-43-3)Raman
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