1H-Pyrrole,2,5-dimethyl-

The 1H-Pyrrole,2,5-dimethyl-, with the CAS registry number 625-84-3, is also known as 2,5-Dimethylazole. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Pyrroles. Its EINECS number is 210-913-8. This chemical's molecular formula is C₆H₉N and molecular weight is 95.15. What's more, its systematic name is 2,5-dimethyl-1H-pyrrole. It should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides, strong acids and fire. It is used to synthesize organic intermediates.

Physical properties of 1H-Pyrrole,2,5-dimethyl- are: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.67; (4)ACD/LogD (pH 7.4): 1.67; (5)ACD/BCF (pH 5.5): 10.95; (6)ACD/BCF (pH 7.4): 10.95; (7)ACD/KOC (pH 5.5): 193; (8)ACD/KOC (pH 7.4): 193; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 4.93 Å²; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 30.33 cm³; (15)Molar Volume: 100.3 cm³; (16)Polarizability: 12.02×10^-24cm³; (17)Surface Tension: 33.9 dyne/cm; (18)Density: 0.948 g/cm³; (19)Flash Point: 54.4 °C; (20)Enthalpy of Vaporization: 38.51 kJ/mol; (21)Boiling Point: 165.1 °C at 760 mmHg; (22)Vapour Pressure: 2.5 mmHg at 25°C.

Preparation of 1H-Pyrrole,2,5-dimethyl-: this chemical can be prepared by hexane-2,5-dione and 1,1,1,3,3,3-hexamethyl-disilazane. This reaction will need reagent triflic acid with the reaction time of 15 min. The yield is about 81%.

Uses of 1H-Pyrrole,2,5-dimethyl-: it can be used to produce 2,5-dimethyl-3,4-bis-thiocyanato-pyrrole. It will need reagent Br₂ and solvent methanol. The yield is about 82%.

When you are using this chemical, please be cautious about it as the following:
This chemical is flammable, so you should keep it away from sources of ignition - No smoking. It is toxic by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: c1(ccc(n1)C)C
(2)Std. InChI: InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3
(3)Std. InChIKey: PAPNRQCYSFBWDI-UHFFFAOYSA-N

The toxicity data is as follows: