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CAS No.: | 3141-24-0 |
---|---|
Name: | 2,3,5-Tribromothiophene |
Article Data: | 27 |
Molecular Structure: | |
Formula: | C4HBr3S |
Molecular Weight: | 320.83 |
Synonyms: | NSC 263503; |
EINECS: | 221-544-7 |
Density: | 2.516 g/cm3 |
Melting Point: | 25-28 °C(lit.) |
Boiling Point: | 260 °C at 760 mmHg |
Flash Point: | 114.5 °C |
Appearance: | white to light yellow crystal powder |
Hazard Symbols: | Xn,Xi |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 36/37/39-26 |
PSA: | 28.24000 |
LogP: | 4.03560 |
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The 2,3,5-Tribromothiophene is an organic compound with the formula C4HBr3S. The IUPAC name of this chemical is 2,3,5-tribromothiophene. With the CAS registry number 3141-24-0, it is also named as ophene, 2,3,5-tribromo-. The product's categories are Thiophenes; Thiophene & Benzothiophene; Thiophens; Halogenated Heterocycles; Heterocyclic Building Blocks; Thiophenes Building Blocks. Besides, it is a white to light yellow crystal powder, which should be stored in a cool dry and well-ventilated area away from incompatible substances. It is used for organic synthesis.
Physical properties about 2,3,5-Tribromothiophene are: (1)ACD/LogP: 4.10; (2)ACD/LogD (pH 5.5): 4.1; (3)ACD/LogD (pH 7.4): 4.1; (4)ACD/BCF (pH 5.5): 764.96; (5)ACD/BCF (pH 7.4): 764.96; (6)ACD/KOC (pH 5.5): 4033.74; (7)ACD/KOC (pH 7.4): 4033.74; (8)Polar Surface Area: 28.24 Å2; (9)Index of Refraction: 1.671; (10)Molar Refractivity: 47.7 cm3; (11)Molar Volume: 127.4 cm3; (12)Polarizability: 18.91×10-24cm3; (13)Surface Tension: 51.7 dyne/cm; (14)Density: 2.516 g/cm3; (15)Flash Point: 114.5 °C; (16)Enthalpy of Vaporization: 47.76 kJ/mol; (17)Boiling Point: 260 °C at 760 mmHg; (18)Vapour Pressure: 0.0203 mmHg at 25°C.
Preparation: this chemical can be prepared by thiophene. This reaction will need reagent bromine and solvent CHCl3.
Uses of 2,3,5-Tribromothiophene: it can be used to produce 2,4-dibromo-thiophene at temperature of 26 °C. It will need reagent NaBH4 and solvent dimethylsulfoxide with reaction time of 4 hours. The yield is about 87.5%.
When you are using this chemical, please be cautious about it as the following:
It is 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. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1sc(Br)c(Br)c1
(2)InChI: InChI=1/C4HBr3S/c5-2-1-3(6)8-4(2)7/h1H
(3)InChIKey: SKDNDSLDRLEELJ-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C4HBr3S/c5-2-1-3(6)8-4(2)7/h1H
(5)Std. InChIKey: SKDNDSLDRLEELJ-UHFFFAOYSA-N