3-BROMO-4-METHYLTHIOPHENE

The 3-Bromo-4-methylthiophene with cas registry number of 30318-99-1 is clear colorless to yellow liquid. It is incompatible with strong oxidizing agents. It belongs to the following categories: thiophens; functional materials; reagents for conducting polymer research; organic electronics and photonics; synthetic tools and reagents; thiophene monomers and building blocks. In addition, both its systematic name and IUPAC name are the same which is called 3-bromo-4-methylthiophene.

The physical properties about this chemical are: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.08; (4)ACD/LogD (pH 7.4): 3.08; (5)ACD/BCF (pH 5.5): 129.08; (6)ACD/BCF (pH 7.4): 129.08; (7)ACD/KOC (pH 5.5): 1128.68; (8)ACD/KOC (pH 7.4): 1128.68; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.581; (13)Molar Refractivity: 37.15 cm³; (14)Molar Volume: 111.3 cm³; (15)Surface Tension: 39.1 dyne/cm; (16)Density: 1.589 g/cm³; (17)Flash Point: 63.3 °C; (18)Enthalpy of Vaporization: 40.02 kJ/mol; (19)Boiling Point: 181 °C at 760 mmHg; (20)Vapour Pressure: 1.18 mmHg at 25°C; (21)Refractive index: 1.579.

Preparation: 2,3,5-tribromo-4-methyl-thiophene can be used to manufacturer this chemical. In this reaction, you will use reagents: Magnesium, diethyl ether and methyl bromide, too.

Uses of 3-Bromo-4-methylthiophene: when this chemical react with sulfuric acid dimethyl ester, 3,4-dimethyl-thiophene can be produced. It also needs reagent n-BuLi and solvent Diethyl ether.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. And it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, wear suitable protective clothing, gloves and eye/face protection during using it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1c(csc1)C;
(2)InChI: InChI=1/C5H5BrS/c1-4-2-7-3-5(4)6/h2-3H,1H3;
(3)InChIKey: MBUSOPVRLCFJCS-UHFFFAOYAE