4-Heptylphenylacetylene supplier

Name
1-ETHYNYL-4-HEPTYLBENZENE
EINECS
CAS No. 79887-12-0
Article Data2
CAS DataBase
Density 0.9 g/cm³
Solubility
Melting Point
Formula C₁₅H₂₀
Boiling Point 281.5 °C at 760 mmHg
Molecular Weight 200.324
Flash Point 117.4 °C
Transport Information
Appearance
Safety 26-36/37/39-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 4-Heptylphenylacetylene;
PSA 0.00000
LogP 4.18080

4-Heptylphenylacetylene Specification

The 4-Heptylphenylacetylene, with the CAS registry number 79887-12-0, is also known as 1-Ethynyl-4-heptylbenzene. This chemical's molecular formula is C₁₅H₂₀and molecular weight is 200.32. Its IUPAC name and systematic name are the same which is called .

Physical properties of 4-Heptylphenylacetylene: (1)ACD/LogP: 6.05; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.05; (4)ACD/LogD (pH 7.4): 6.05; (5)ACD/BCF (pH 5.5): 23260.2; (6)ACD/BCF (pH 7.4): 23260.2; (7)ACD/KOC (pH 5.5): 46473.75; (8)ACD/KOC (pH 7.4): 46473.75 ; (9)#Freely Rotating Bonds: 6; (10)Index of Refraction: 1.507; (11)Molar Refractivity: 66.22 cm³; (12)Molar Volume: 222.3 cm³; (13)Surface Tension: 35.2 dyne/cm; (14)Density: 0.9 g/cm³; (15)Flash Point: 117.4 °C; (16)Enthalpy of Vaporization: 49.94 kJ/mol; (17)Boiling Point: 281.5 °C at 760 mmHg; (18)Vapour Pressure: 0.00604 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, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: C#Cc1ccc(cc1)CCCCCCC
(2)InChI: InChI=1/C15H20/c1-3-5-6-7-8-9-15-12-10-14(4-2)11-13-15/h2,10-13H,3,5-9H2,1H3
(3)InChIKey: CFWOIXKFXVUJPA-UHFFFAOYAM

Product Name

1-ETHYNYL-4-HEPTYLBENZENE

4-Heptylphenylacetylene Specification

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