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4200-06-0

Basic Information
CAS No.: 4200-06-0
Name: 1-ETHYNYL-4-PHENOXYBENZENE
Article Data: 11
Molecular Structure:
Molecular Structure of 4200-06-0 (1-ETHYNYL-4-PHENOXYBENZENE)
Formula: C14H10O
Molecular Weight: 194.233
Synonyms: Ether,p-ethynylphenyl phenyl (7CI,8CI);(4-Phenyloxyphenyl)ethyne;4-(Phenoxy)phenylacetylene;p-(Phenoxyphenyl)acetylene;
Density: 1.11 g/cm3
Melting Point: 284℃ (decomposition)
Boiling Point: 285.087 °C at 760 mmHg
Flash Point: 121.034 °C
Hazard Symbols: IrritantXi
Risk Codes: 41-43
Safety: 26-36
PSA: 9.23000
LogP: 3.46020
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Specification

The Benzene,1-ethynyl-4-phenoxy-, with the CAS registry number 4200-06-0, is also known as 4'-Phenoxyphenylacetylene. It belongs to the product categories of Alkynes; Organic Building BlocksTerminal. This chemical's molecular formula is C14H10O and molecular weight is 194.2286. Its systematic name is called 1-ethynyl-4-phenoxybenzene.

Physical properties of Benzene,1-ethynyl-4-phenoxy-: (1)ACD/LogP: 4.85; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 1281; (5)ACD/BCF (pH 7.4): 1281; (6)ACD/KOC (pH 5.5): 5836; (7)ACD/KOC (pH 7.4): 5836; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.609; (11)Molar Refractivity: 60.262 cm3; (12)Molar Volume: 174.067 cm3; (13)Surface Tension: 46.91 dyne/cm; (14)Density: 1.116 g/cm3; (15)Flash Point: 121.034 °C; (16)Enthalpy of Vaporization: 50.308 kJ/mol; (17)Boiling Point: 285.087 °C at 760 mmHg; (18)Vapour Pressure: 0.005 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 may cause sensitisation by skin contact. 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.

You can still convert the following datas into molecular structure:
(1)SMILES: C#Cc2ccc(Oc1ccccc1)cc2
(2)InChI: InChI=1/C14H10O/c1-2-12-8-10-14(11-9-12)15-13-6-4-3-5-7-13/h1,3-11H
(3)InChIKey: LKMNQDOAPYPSNH-UHFFFAOYAC