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2396-65-8

Basic Information
CAS No.: 2396-65-8
Name: 1,8-Nonadiyne
Article Data: 7
Molecular Structure:
Molecular Structure of 2396-65-8 (1,8-Nonadiyne)
Formula: C9H12
Molecular Weight: 120.194
Synonyms: NSC 35136;
EINECS: 219-254-0
Density: 0.831 g/cm3
Melting Point: -21 °C(lit.)
Boiling Point: 162.2 °C at 760 mmHg
Flash Point: 41.7 °C
Solubility: Not miscible or difficult to mix in water.
Appearance: Clear colorless liquid.
Hazard Symbols: IrritantXi
Risk Codes: 10-36/37/38
Safety: 16-26-36/37/39
Transport Information: UN 3295 3
PSA: 0.00000
LogP: 2.20330
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Specification

The 1,8-Nonadiyne, with the CAS registry number 2396-65-8, is also known as NSC35136. It belongs to the product categories of Acetylenes; Acetylenic Hydrocarbons; Alkynes; Organic Building Blocks; Terminal. Its EINECS registry number is 219-254-0. This chemical's molecular formula is C9H12 and molecular weight is 120.19158. Its IUPAC name is called nona-1,8-diyne.

Physical properties of 1,8-Nonadiyne: (1)ACD/LogP: 2.83; (2)ACD/LogD (pH 5.5): 2.83; (3)ACD/LogD (pH 7.4): 2.83; (4)ACD/BCF (pH 5.5): 83.93; (5)ACD/BCF (pH 7.4): 83.93; (6)ACD/KOC (pH 5.5): 829.35; (7)ACD/KOC (pH 7.4): 829.35; (8)#Freely Rotating Bonds: 4; (9)Index of Refraction: 1.457; (10)Molar Refractivity: 39.4 cm3; (11)Molar Volume: 144.6 cm3; (12)Surface Tension: 33.6 dyne/cm; (13)Density: 0.831 g/cm3; (14)Flash Point: 41.7 °C; (15)Enthalpy of Vaporization: 38.23 kJ/mol; (16)Boiling Point: 162.2 °C at 760 mmHg; (17)Vapour Pressure: 2.87 mmHg at 25°C.

Uses of 1,8-Nonadiyne: it can be used to produce 2,8-dimethylene-nonanedioic acid at temperature of 90 °C. This reaction will need reagent aq. NaOH, Ni(CN)2•4H2O, cetyltrimethylammonium bromide (CTAB) and solvent toluene with reaction time of 8 hours. The yield is about 65%.

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)Canonical SMILES: C#CCCCCCC#C
(2)InChI: InChI=1S/C9H12/c1-3-5-7-9-8-6-4-2/h1-2H,5-9H2
(3)InChIKey: DMOVPHYFYSASTC-UHFFFAOYSA-N