Thiophene,2-butyl-5-methyl- supplier

Name
2-BUTYL-5-METHYLTHIOPHENE
EINECS
CAS No. 111510-96-4
Article Data4
CAS DataBase
Density 0.958g/cm³
Solubility
Melting Point
Formula C₉H₁₄S
Boiling Point 200.6 °C at 760 mmHg
Molecular Weight 154.276
Flash Point 52.4 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-N-BUTYL-5-METHYLTHIOPHENE;2-BUTYL-5-METHYLTHIOPHENE
PSA 28.24000
LogP 3.39910

Thiophene,2-butyl-5-methyl- Specification

The CAS registry number of Thiophene,2-butyl-5-methyl- is 111510-96-4. This chemical's molecular formula is C₉H₁₄S and molecular weight is 154.27. What's more, its systematic name is called 2-Butyl-5-methylthiophene. It is stable in normal temperature and pressure. It can not contact with strong oxidant. When you are dealing with this chemical, you should be very careful. Therefore, you should avoid contacting with skin and eyes.

Physical properties about Thiophene,2-butyl-5-methyl- are: (1)ACD/LogP: 4.41; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.41; (4)ACD/LogD (pH 7.4): 4.41; (5)ACD/BCF (pH 5.5): 1324.29; (6)ACD/BCF (pH 7.4): 1324.29; (7)ACD/KOC (pH 5.5): 5974.67; (8)ACD/KOC (pH 7.4): 5974.67; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 28.24 Å²; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 48.27 cm³; (15)Molar Volume: 161 cm³; (16)Surface Tension: 32.4 dyne/cm; (17)Density: 0.958 g/cm³; (18)Flash Point: 52.4 °C; (19)Enthalpy of Vaporization: 41.9 kJ/mol; (20)Boiling Point: 200.6 °C at 760 mmHg; (21)Vapour Pressure: 0.455 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: s1c(ccc1CCCC)C
(2) InChI: InChI=1/C9H14S/c1-3-4-5-9-7-6-8(2)10-9/h6-7H,3-5H2,1-2H3
(3) InChIKey: GVCKDFUWZSZTLQ-UHFFFAOYAW

Product Name

2-BUTYL-5-METHYLTHIOPHENE

Thiophene,2-butyl-5-methyl- Specification

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