| Identification | More | [Name]
4-Amino-4H-1,2,4-triazole | [CAS]
584-13-4 | [Synonyms]
1-(4-BROMOPHENYL)ETHAN-1-ONE
1-(4-BROMOPHENYL)ETHANONE
1-ACETYL-4-BROMOBENZENE
4-AMINO-1,2,4-TRIAZOLE
4-AMINO-4H-1,2,4-TRIAZOLE
4'-BROMOACETOPHENONE
4-BROMOACETOPHENONE
4H-1,2,4-TRIAZOL-4-AMINE
AKOS 90587
AKOS BBS-00002895
AKOS BBS-00003218
AURORA KA-3857
BROMOACETOPHENONE-4
IFLAB-BB F1918-0006
LABOTEST-BB LT00095979
METHYL P-BROMOPHENYL KETONE
P-BROMOACETOPHENONE
P-BROMOPHENYL METHYL KETONE
TIMTEC-BB SBB004399
4-triazole,4-amino-4h-2 | [EINECS(EC#)]
202-799-3 | [Molecular Formula]
C2H4N4 | [MDL Number]
MFCD00000105 | [Molecular Weight]
84.08 | [MOL File]
584-13-4.mol |
| Chemical Properties | Back Directory | [Appearance]
white to off-white or beige crystalline powder | [Melting point ]
84-86 °C(lit.)
| [Boiling point ]
255 °C(lit.)
| [density ]
1.59±0.1 g/cm3(Predicted) | [refractive index ]
1.7390 (estimate) | [Fp ]
>230 °F
| [storage temp. ]
Store below +30°C. | [solubility ]
methanol: 0.1 g/mL, clear
| [form ]
Crystalline Powder | [pka]
3.20±0.10(Predicted) | [color ]
White to off-white or beige | [PH]
<7 (H2O, 20℃) | [Water Solubility ]
810 g/L (20 ºC) | [BRN ]
107563 | [InChIKey]
FMCUPJKTGNBGEC-UHFFFAOYSA-N | [CAS DataBase Reference]
584-13-4(CAS DataBase Reference) | [EPA Substance Registry System]
584-13-4(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R42/43:May cause sensitization by inhalation and skin contact . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [RTECS ]
XZ3850200
| [F ]
8 | [Hazard Note ]
Irritant | [HS Code ]
29339900 |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
Ethanol-->Formylhydrazine | [Preparation Products]
4-(4-BROMOPHENYL)-3-PYRIDINECARBOXALDEHYDE-->1-(4-Nitrophenyl)methyl-1,2,4-triazole-->4-Amino-1,2,4-triazolehydrochloride-->6,8-DIMETHYL[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE-->6-METHYL[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-8-OL-->2-Chloro-N-[1,2,4]triazol-4-yl-acetaMide, 98+% C4H5ClN4O, MW: 160.56-->N-(4-CHLOROPHENYL)-N'-(4H-1,2,4-TRIAZOL-4-YL)THIOUREA |
| Hazard Information | Back Directory | [Chemical Properties]
white to off-white or beige crystalline powder | [Uses]
1,2,4-Triazol-4-amine is an intermediate used to prepare potent, selective, and orally active cyclooxygenase-?2 inhibitors. It is also used to synthesize hydroxyphenacyl azoles and related azolium derivatives as antifungal agents. | [Purification Methods]
It crystallises from EtOH/ Et2O or H2O. The hydrochloride has m 151-152o (from EtOH, 1g/10mL). [Allen & Bell Org Synth Coll Vol III 96 1955, Barszez et al. J Chem Soc, Dalton Trans 2025 1986, Beilstein 26 H 16, 26 II 7, 26 III/IV 40, Temple & Montgomery 1,2,4-Triazoles —The Chemistry of Heterocyclic Compounds Vol 37 (Weissberger & Taylor eds.). Wiley & Sons NY 1981, ISBN 0-471-0656-6.] |
| Spectrum Detail | Back Directory | [Spectrum Detail]
4-Amino-4H-1,2,4-triazole(584-13-4)MS
4-Amino-4H-1,2,4-triazole(584-13-4)1HNMR
4-Amino-4H-1,2,4-triazole(584-13-4)13CNMR
4-Amino-4H-1,2,4-triazole(584-13-4)IR1
4-Amino-4H-1,2,4-triazole(584-13-4)IR2
4-Amino-4H-1,2,4-triazole(584-13-4)Raman
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