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CAS No.: | 40032-73-3 |
---|---|
Name: | 3-Bromo-2-chlorothiophene |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C4H2BrClS |
Molecular Weight: | 197.483 |
Synonyms: | 3-Bromo-2-chlorothiophene; |
Density: | 1.844 g/cm3 |
Boiling Point: | 197.3 °C at 760 mmHg |
Flash Point: | 73.1 °C |
Solubility: | < 0.2 g/l (20℃) |
Appearance: | clear colourless to yellowish liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36-37/39 |
PSA: | 28.24000 |
LogP: | 3.16400 |
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The 3-Bromo-2-chlorothiophene is an organic compound with the formula C4H2BrClS. The IUPAC name of this chemical is 3-bromo-2-chlorothiophene. With the CAS registry number 40032-73-3, it is also named as Thiophene, 3-bromo-2-chloro-. The product's categories are Thiophenes; Thiophene & Benzothiophene; Thiophens; Boronic Acid; Heterocyclic Compounds; Halogenated Heterocycles; Heterocyclic Building Blocks; Thiophenes Building Blocks; Heterocyclic Building Blocks. Besides, it is a clear colourless to yellowish liquid, which should be stored in a closed cool and dry place.
Physical properties about 3-Bromo-2-chlorothiophene are: (1)ACD/LogP: 3.17; (2)ACD/LogD (pH 5.5): 3.17; (3)ACD/LogD (pH 7.4): 3.17; (4)ACD/BCF (pH 5.5): 152.16; (5)ACD/BCF (pH 7.4): 152.16; (6)ACD/KOC (pH 5.5): 1269.7; (7)ACD/KOC (pH 7.4): 1269.7; (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: 73.1 °C; (16)Enthalpy of Vaporization: 41.58 kJ/mol; (17)Boiling Point: 197.3 °C at 760 mmHg; (18)Vapour Pressure: 0.536 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
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 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: Brc1ccsc1Cl
(2)InChI: InChI=1/C4H2BrClS/c5-3-1-2-7-4(3)6/h1-2H
(3)InChIKey: KSHOQKKCPJELBV-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C4H2BrClS/c5-3-1-2-7-4(3)6/h1-2H
(5)Std. InChIKey: KSHOQKKCPJELBV-UHFFFAOYSA-N