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CAS No.: | 2873-18-9 |
---|---|
Name: | 2-Bromo-5-chlorothiophene |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C4H2BrClS |
Molecular Weight: | 197.483 |
Synonyms: | 2-bromo-5-chloro-thiophene;2-Chloro-5-Bromo Thiophene; |
EINECS: | 220-708-5 |
Density: | 1.844 g/cm3 |
Melting Point: | -20°C |
Boiling Point: | 176.5 °C at 760 mmHg |
Flash Point: | 85 °C |
Appearance: | Clear light yellow to pink-orange liquid |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-36 |
PSA: | 28.24000 |
LogP: | 3.16400 |
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The 2-Bromo-5-chlorothiophene is an organic compound with the formula C4H2BrClS. The IUPAC name of this chemical is 2-bromo-5-chlorothiophene. With the CAS registry number 2873-18-9, it is also named as 5-Bromo-2-chlorothiophene. The product's categories are Thiophene & Benzothiophene; Miscellaneous; Thiophens; Halogenated Heterocycles; Heterocyclic Building Blocks; Thiophenes; Thiophenes Building Blocks. Besides, it is a clear light yellow to pink-orange liquid, which should be stored in a cool and dry place.
Physical properties about 2-Bromo-5-chlorothiophene 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): 204.17; (5)ACD/BCF (pH 7.4): 204.17; (6)ACD/KOC (pH 5.5): 1567.09; (7)ACD/KOC (pH 7.4): 1567.09; (8)Polar Surface Area: 28.24 Å2; (9)Index of Refraction: 1.612; (10)Molar Refractivity: 37.22 cm3; (11)Molar Volume: 107 cm3; (12)Polarizability: 14.75×10-24cm3; (13)Surface Tension: 44.7 dyne/cm; (14)Density: 1.844 g/cm3; (15)Flash Point: 85 °C; (16)Enthalpy of Vaporization: 39.59 kJ/mol; (17)Boiling Point: 176.5 °C at 760 mmHg; (18)Vapour Pressure: 1.46 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-chloro-thiophene. This reaction will need reagent carbon disulfide and bromine.
Uses of 2-Bromo-5-chlorothiophene: it can be used to produce 2-chloro-5-p-tolylsulfanyl-thiophene at temperature of 155 - 175 °C. The reaction time is 7 hours. The yield is about 83%.
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 protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1sc(Br)cc1
(2)InChI: InChI=1/C4H2BrClS/c5-3-1-2-4(6)7-3/h1-2H
(3)InChIKey: ZFAJPWYXLYGUJU-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C4H2BrClS/c5-3-1-2-4(6)7-3/h1-2H
(5)Std. InChIKey: ZFAJPWYXLYGUJU-UHFFFAOYSA-N