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CAS No.: | 69249-61-2 |
---|---|
Name: | 2-bromo-3-hexylthiophene |
Article Data: | 60 |
Molecular Structure: | |
Formula: | C10H15BrS |
Molecular Weight: | 247.199 |
Synonyms: | 2-Bromo-3-hexylthiophene;2-Bromo-3-n-hexylthiophene;3-Hexyl-2-bromothiophene;2-bromo-3-hexylthiophene;thiophene, 2-bromo-3-hexyl-; |
Density: | 1.275 g/cm3 |
Boiling Point: | 272.653 °C at 760 mmHg |
Flash Point: | 118.697 °C |
Solubility: | Slightly miscible with water. |
Hazard Symbols: | T |
Risk Codes: | 25 |
Safety: | 45 |
PSA: | 28.24000 |
LogP: | 4.63340 |
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The 2-Bromo-3-hexyl- thiophene, with the CAS registry number 69249-61-2, has the systematic name of 2-bromo-3-hexylthiophene. And the molecular formula of this chemical is C10H15BrS. It belongs to the following product categories: Thiophenes; Heterocyclic Compounds; Thiophene Monomers and Building Blocks; Heterocyclic Building Blocks; Organic Electronics and Photonics; Synthetic Tools and Reagents.
The physical properties of 2-Bromo-3-hexyl- thiophene are as following: (1)ACD/LogP: 5.85; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 16876; (6)ACD/BCF (pH 7.4): 16876; (7)ACD/KOC (pH 5.5): 36938; (8)ACD/KOC (pH 7.4): 36938; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 28.24 Å2; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 60.408 cm3; (15)Molar Volume: 193.942 cm3; (16)Polarizability: 23.948×10-24cm3; (17)Surface Tension: 36.489 dyne/cm; (18)Density: 1.275 g/cm3; (19)Flash Point: 118.697 °C; (20)Enthalpy of Vaporization: 49.039 kJ/mol; (21)Boiling Point: 272.653 °C at 760 mmHg; (22)Vapour Pressure: 0.01 mmHg at 25°C.
You should be cautious while dealing with this chemical. It is toxic if swallowed, and in case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1sccc1CCCCCC
(2)InChI: InChI=1/C10H15BrS/c1-2-3-4-5-6-9-7-8-12-10(9)11/h7-8H,2-6H2,1H3
(3)InChIKey: XQJNXCHDODCAJF-UHFFFAOYAS