1-Ethynyl-2-methoxy-benzene supplier

Name
1-ETHYNYL-2-METHOXYBENZENE
EINECS
CAS No. 767-91-9
Article Data68
CAS DataBase
Density 1.01 g/cm³
Solubility
Melting Point
Formula C₉H₈O
Boiling Point 204.9 °C at 760 mmHg
Molecular Weight 132.162
Flash Point 70 °C
Transport Information
Appearance
Safety
Risk Codes R22; R36; R36/37/38
Molecular Structure
Hazard Symbols Xn,Xi
Synonyms 2'-Methoxyphenyl acetylene;2'-Methoxyphenylacetylene;1-ethynyl-2-methoxybenzene;2-Ethynylphenyl methyl ether;2-Methoxyphenylacetylene;Benzene, 1-ethynyl-2-methoxy-;2-Ethynylanisole;2'-Methoxyphenyl acetylene;
PSA 9.23000
LogP 1.67650

1-Ethynyl-2-methoxy-benzene Specification

The 1-Ethynyl-2-methoxy-benzene, with the CAS registry number 767-91-9, has the systematic name of 1-ethynyl-2-methoxybenzene. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₉H₈O.

The characteristics of 1-Ethynyl-2-methoxy-benzene are as followings: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.32; (4)ACD/LogD (pH 7.4): 2.32; (5)ACD/BCF (pH 5.5): 33.86; (6)ACD/BCF (pH 7.4): 33.86; (7)ACD/KOC (pH 5.5): 433.07; (8)ACD/KOC (pH 7.4): 433.07; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 40.17 cm³; (15)Molar Volume: 130 cm³; (16)Polarizability: 15.92×10^-24cm³; (17)Surface Tension: 37.4 dyne/cm; (18)Density: 1.01 g/cm³; (19)Flash Point: 70 °C; (20)Enthalpy of Vaporization: 42.31 kJ/mol; (21)Boiling Point: 204.9 °C at 760 mmHg; (22)Vapour Pressure: 0.368 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C(#C)c1ccccc1OC
(2)InChI: InChI=1/C9H8O/c1-3-8-6-4-5-7-9(8)10-2/h1,4-7H,2H3
(3)InChIKey: UFOVULIWACVAAC-UHFFFAOYAH

Product Name

1-ETHYNYL-2-METHOXYBENZENE

1-Ethynyl-2-methoxy-benzene Specification

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