2-Bromo-3-hexylthiophene supplier

Name
2-bromo-3-hexylthiophene
EINECS
CAS No. 69249-61-2
Article Data60
CAS DataBase
Density 1.275 g/cm³
Solubility Slightly miscible with water.
Melting Point
Formula C₁₀H₁₅BrS
Boiling Point 272.653 °C at 760 mmHg
Molecular Weight 247.199
Flash Point 118.697 °C
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols T
Synonyms 2-Bromo-3-hexylthiophene;2-Bromo-3-n-hexylthiophene;3-Hexyl-2-bromothiophene;2-bromo-3-hexylthiophene;thiophene, 2-bromo-3-hexyl-;
PSA 28.24000
LogP 4.63340

2-Bromo-3-hexylthiophene Specification

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

Product Name

2-bromo-3-hexylthiophene

2-Bromo-3-hexylthiophene Specification

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