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| CAS No.: | 167683-86-5 |
|---|---|
| Name: | 5-AMINO-4-BROMO-3-METHYLPYRAZOLE HYDROBROMIDE |
| Molecular Structure: | |
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|
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| Formula: | C4H6BrN3.BrH |
| Molecular Weight: | 256.93 |
| Synonyms: | 1H-Pyrazol-3-amine,4-bromo-5-methyl-, monohydrobromide (9CI);4-Bromo-3-methyl-1H-pyrazol-5-amine hydrobromide; |
| Density: | 1.838g/cm3 |
| Melting Point: | 178-181°C |
| Boiling Point: | 337.9°Cat760mmHg |
| Flash Point: | 158.1°C |
| Solubility: | Soluble in water. |
| Appearance: | Crystalline Solid |
| Hazard Symbols: |
 Harmful
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 54.70000 |
| LogP: | 2.60210 |
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Specification
The 4-Bromo-3-methyl-1H-pyrazol-5-amine hydrobromide with the cas number 167683-86-5 is also called 1H-Pyrazol-3-amine,4-bromo-5-methyl-, hydrobromide (1:1). The systematic name is 4-bromo-5-methyl-1H-pyrazol-3-aminium bromide. This chemical belongs to the following product categories: (1)Imidazoles, Pyrroles, Pyrazoles, Pyrrolidines; (2)Nucleotides and Nucleosides; (3)Heterocyclic; (4)Nucleotide. It is an interesting synthetic intermediate.
The properties of the chemical are: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.75; (4)ACD/LogD (pH 7.4): 0.75; (5)ACD/BCF (pH 5.5): 2.18; (6)ACD/BCF (pH 7.4): 2.2; (7)ACD/KOC (pH 5.5): 60.66; (8)ACD/KOC (pH 7.4): 61.17; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82 Å2; (13)Enthalpy of Vaporization: 58.11 kJ/mol ; (14)Vapour Pressure: 0.000102 mmHg at 25°C.
While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: [Br-].Brc1c(nnc1C)[NH3+]
(2)InChI: InChI=1/C4H6BrN3.BrH/c1-2-3(5)4(6)8-7-2;/h1H3,(H3,6,7,8);1H
(3)InChIKey: UGCOULAJNKWOPX-UHFFFAOYAK