| Identification | More | [Name]
3,5-DIBROMO-1H-1,2,4-TRIAZOLE | [CAS]
7411-23-6 | [Synonyms]
3,5-DIBROMO-1,2,4-TRIAZOLE
3,5-DIBROMO-1H-1,2,4-TRIAZOLE
3,5-DIBROMO-4H-1,2,4-TRIAZOLE
3,5-DIBROMO-S-TRIAZOLE
3,5-dibromo-s-triazol
3,5-Dibromo-1H-1,2,4-triazole 97% | [Molecular Formula]
C2HBr2N3 | [MDL Number]
MFCD00487260 | [Molecular Weight]
226.86 | [MOL File]
7411-23-6.mol |
| Chemical Properties | Back Directory | [Melting point ]
201 °C | [Boiling point ]
364.8±25.0 °C(Predicted) | [density ]
2.620 | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
powder to crystal | [pka]
5.50±0.40(Predicted) | [color ]
White to Light yellow | [InChI]
InChI=1S/C2HBr2N3/c3-1-5-2(4)7-6-1/h(H,5,6,7) | [InChIKey]
FRAKFBWDPXYIQO-UHFFFAOYSA-N | [SMILES]
N1C(Br)=NC(Br)=N1 | [CAS DataBase Reference]
7411-23-6(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S22:Do not breathe dust . | [RTECS ]
XZ4570000 | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
2933998090 |
| Hazard Information | Back Directory | [Chemical Properties]
Pale yellow or white powder | [Synthesis]
General procedure for the synthesis of 3,5-dibromo-1H-1,2,4-triazole from 1H-1,2,4-triazole: a solution of bromine (6.1 mL, 119 mmol) in dichloromethane (DCM, 15 mL) and sodium hydroxide (6.78 g, 169 mmol) in water (20 mL) were added simultaneously and slowly dropwise to the stirred 1H-1,2,4- triazole (3.9 g, 56 mmol), water (50 mL) and DCM (15 mL) mixture at 0°C. The reaction temperature was controlled to be below 20°C during the dropwise addition. The reaction mixture was stirred at room temperature overnight. Subsequently, concentrated hydrochloric acid (2.0 mL, 66 mmol) was added to the reaction solution. The solid product was isolated by filtration, washed with water and dried under vacuum to afford the title compound 3,5-dibromo-1H-1,2,4-triazole as a solid (8.3 g, 65% yield). Mass spectrum (ESI) m/z 224 [M-H]-. | [References]
[1] Synthesis, 1998, # 9, p. 1357 - 1361
[2] Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2014, vol. 53, # 5, p. 610 - 618
[3] Patent: WO2014/195321, 2014, A1. Location in patent: Page/Page column 15; 16
[4] Patent: WO2014/195322, 2014, A1. Location in patent: Page/Page column 15
[5] Patent: US2010/240619, 2010, A1. Location in patent: Page/Page column 68 |
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