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| CAS No.: | 3140-93-0 |
|---|---|
| Name: | 2,3-Dibromothiophene |
| Article Data: | 23 |
| Molecular Structure: | |
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|
|
| Formula: | C4H2Br2S |
| Molecular Weight: | 241.934 |
| Synonyms: | NSC 99003; |
| EINECS: | 221-542-6 |
| Density: | 2.174 g/cm3 |
| Melting Point: | -17.5oC |
| Boiling Point: | 221.9 °C at 760 mmHg |
| Flash Point: | 51.7 °C |
| Appearance: | clear yellowish to brownish liquid |
| Hazard Symbols: |
 Xn, F, Xi
|
| Risk Codes: | 10-36/37/38-20/21/22 |
| Safety: | 23-24/25-36/37/39-26-16-36 |
| Transport Information: | UN 1993 3/PG 3 |
| PSA: | 28.24000 |
| LogP: | 3.27310 |
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Specification
The 2,3-Dibromothiophene is an organic compound with the formula C4H2Br2S. The IUPAC name of this chemical is 2,3-dibromothiophene. With the CAS registry number 3140-93-0, it is also named as Thiophene, 2,3-dibromo-. The product's categories are Thiophenes; Thiophene & Benzothiophene; Miscellaneous; Thiophens; Halogenated Heterocycles; Heterocyclic Building Blocks; Thiophenes Building Blocks. Besides, it is a clear yellowish to brownish liquid, which should be stored in a cool and dry place.
Physical properties about 2,3-Dibromothiophene are: (1)ACD/LogP: 3.34; (2)ACD/LogD (pH 5.5): 3.34; (3)ACD/LogD (pH 7.4): 3.34; (4)ACD/BCF (pH 5.5): 202.87; (5)ACD/BCF (pH 7.4): 202.87; (6)ACD/KOC (pH 5.5): 1559.97; (7)ACD/KOC (pH 7.4): 1559.97; (8)Polar Surface Area: 28.24 Å2; (9)Index of Refraction: 1.638; (10)Molar Refractivity: 40.01 cm3; (11)Molar Volume: 111.2 cm3; (12)Polarizability: 15.86×10-24cm3; (13)Surface Tension: 47 dyne/cm; (14)Density: 2.174 g/cm3; (15)Flash Point: 51.7 °C; (16)Enthalpy of Vaporization: 43.97 kJ/mol; (17)Boiling Point: 221.9 °C at 760 mmHg; (18)Vapour Pressure: 0.155 mmHg at 25°C.
Preparation: this chemical can be prepared by 3-bromo-thiophene. This reaction will need reagent benzene and bromine.
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Uses of 2,3-Dibromothiophene: it can be used to produce 3-bromo-thiophene at temperature of 0 °C. It will need reagent Cp2ZrBu2 with reaction time of 3 hours. The yield is about 98%.
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When you are using this chemical, please be cautious about it as the following:
It is flammable and harmful by inhalation, in contact with skin and if swallowed. Plaese keep away from sources of ignition - No smoking. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin, do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) and avoid contact with skin and eyes. When you are using it, wear suitable gloves and eye/face protection. 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: Brc1ccsc1Br
(2)InChI: InChI=1/C4H2Br2S/c5-3-1-2-7-4(3)6/h1-2H
(3)InChIKey: ATRJNSFQBYKFSM-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C4H2Br2S/c5-3-1-2-7-4(3)6/h1-2H
(5)Std. InChIKey: ATRJNSFQBYKFSM-UHFFFAOYSA-N