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| CAS No.: | 14282-76-9 |
|---|---|
| Name: | 2-Bromo-3-methylthiophene |
| Article Data: | 52 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H5BrS |
| Molecular Weight: | 177.065 |
| Synonyms: | 2-(2-Bromoethyl)thiophene |
| EINECS: | 238-175-2 |
| Density: | 1.589 g/cm3 |
| Melting Point: | <25 °C |
| Boiling Point: | 177.3 °C at 760 mmHg |
| Flash Point: | 68.3 °C |
| Solubility: | Insoluble in water |
| Appearance: | clear colorless to light yellow liquid |
| Hazard Symbols: |
 T, Xi, Xn
|
| Risk Codes: | 25-41-43-36/37/38-20/21/22 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 2810 |
| PSA: | 28.24000 |
| LogP: | 2.81900 |
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Specification
The 2-Bromo-3-methylthiophene is an organic compound with the formula C5H5BrS. The IUPAC name of this chemical is 2-bromo-3-methylthiophene. With the CAS registry number 14282-76-9, it is also named as Thiophene, 2-bromo-3-methyl-. The product's categories are Thiophenes; Blocks; Bromides; Heterocycles; Thiophene & Benzothiophene; Halogenated; Organohalides; Thiophene; Thiophens; Halogenated Heterocycles; Heterocyclic Building Blocks; Thiophenes Building Blocks. Besides, it is a clear colorless to light yellow liquid, which should be stored in a closed and dark place at room temperature. It is used as organic synthesis intermediate, especially for synthesis of medicine, pesticides and photosensitive polyme.
Physical properties about 2-Bromo-3-methylthiophene are: (1)ACD/LogP: 3.21; (2)ACD/LogD (pH 5.5): 3.21; (3)ACD/LogD (pH 7.4): 3.21; (4)ACD/BCF (pH 5.5): 161.49; (5)ACD/BCF (pH 7.4): 161.49; (6)ACD/KOC (pH 5.5): 1324.96; (7)ACD/KOC (pH 7.4): 1324.96; (8)Polar Surface Area: 28.24 Å2; (9)Index of Refraction: 1.581; (10)Molar Refractivity: 37.15 cm3; (11)Molar Volume: 111.3 cm3; (12)Polarizability: 14.72×10-24cm3; (13)Surface Tension: 39.1 dyne/cm; (14)Density: 1.589 g/cm3; (15)Flash Point: 68.3 °C; (16)Enthalpy of Vaporization: 39.66 kJ/mol; (17)Boiling Point: 177.3 °C at 760 mmHg; (18)Vapour Pressure: 1.41 mmHg at 25°C.
Preparation: this chemical can be prepared by 3-methyl-thiophene. This reaction will need reagent water and bromine.
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Uses of 2-Bromo-3-methylthiophene: it can be used to produce 2-bromo-5-iodo-3-methyl-thiophene. It will need reagent benzene, mercury (II)-oxide and iodine.
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When you are using this chemical, please be cautious about it as the following:
It is toxic if swallowed and harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. It is risk of serious damage to eyes and may cause sensitisation by inhalation. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1sccc1C
(2)InChI: InChI=1/C5H5BrS/c1-4-2-3-7-5(4)6/h2-3H,1H3
(3)InChIKey: YYJBWYBULYUKMR-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C5H5BrS/c1-4-2-3-7-5(4)6/h2-3H,1H3
(5)Std. InChIKey: YYJBWYBULYUKMR-UHFFFAOYSA-N