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| CAS No.: | 65016-61-7 |
|---|---|
| Name: | 3-N-HEPTYLTHIOPHENE |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C11H18S |
| Molecular Weight: | 182.33 |
| Synonyms: | 3-Heptylthiophene;3-n-Heptylthiophene; |
| Density: | 0.938 g/cm3 |
| Melting Point: | -29.15°C (estimate) |
| Boiling Point: | 245.1 °C at 760 mmHg |
| Flash Point: | 73.4 °C |
| Appearance: | clear colorless to yellow liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 37/39-26 |
| PSA: | 28.24000 |
| LogP: | 4.26100 |
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- Total:21 Page 1 of 1 1
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Specification
The 3-N-Heptylthiophene, with the CAS registry number 65016-61-7, is also known as Thiophene, 3-heptyl-. It belongs to the product categories of 3-Alkylthiophenes (for Conduting Polymer Research); Functional Materials; Reagents for Conducting Polymer Research; Thiophen. This chemical's molecular formula is C11H18S and molecular weight is 182.3256. Its systematic name is called 3-heptylthiophene. This chemical is clear colorless to yellow liquid.
Physical properties of 3-N-Heptylthiophene: (1)ACD/LogP: 5.54; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.54; (4)ACD/LogD (pH 7.4): 5.54; (5)ACD/BCF (pH 5.5): 9633.91; (6)ACD/BCF (pH 7.4): 9633.91; (7)ACD/KOC (pH 5.5): 24728.38; (8)ACD/KOC (pH 7.4): 24728.38; (9)#Freely Rotating Bonds: 6; (10)Index of Refraction: 1.502; (11)Molar Refractivity: 57.35 cm3; (12)Molar Volume: 194.2 cm3; (13)Surface Tension: 33 dyne/cm; (14)Density: 0.938 g/cm3; (15)Flash Point: 73.4 °C; (16)Enthalpy of Vaporization: 46.26 kJ/mol; (17)Boiling Point: 245.1 °C at 760 mmHg; (18)Vapour Pressure: 0.0459 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: s1ccc(c1)CCCCCCC
(2)InChI: InChI=1/C11H18S/c1-2-3-4-5-6-7-11-8-9-12-10-11/h8-10H,2-7H2,1H3
(3)InChIKey: IUUMHORDQCAXQU-UHFFFAOYAT