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Name |
Phenetole, m-chloro- |
EINECS | 220-185-3 |
CAS No. | 2655-83-6 | Density | 1.103 g/cm3 |
PSA | 9.23000 | LogP | 2.73870 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H9ClO | Boiling Point | 204.7 °C at 760 mmHg |
Molecular Weight | 156.612 | Flash Point | 83.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Chloro-3-ethoxybenzene;3-Chlorophenetole; |
Article Data | 7 |
The Phenetole, m-chloro-, with the CAS registry number 2655-83-6 and EINECS registry number 220-185-3, has the systematic name and IUPAC name of 1-chloro-3-ethoxybenzene. It belongs to the following product categories: Phenetole; Anisoles, Alkyloxy Compounds & Phenylacetates; Chlorine Compounds; Ethers; Organic Building Blocks; Oxygen Compounds. And the molecular formula of the chemical is C8H9ClO.
The characteristics of Phenetole, m-chloro- are as followings: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.49; (4)ACD/LogD (pH 7.4): 3.49; (5)ACD/BCF (pH 5.5): 265.4; (6)ACD/BCF (pH 7.4): 265.4; (7)ACD/KOC (pH 5.5): 1890.75; (8)ACD/KOC (pH 7.4): 1890.75; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.51; (14)Molar Refractivity: 42.45 cm3; (15)Molar Volume: 141.8 cm3; (16)Polarizability: 16.83×10-24cm3; (17)Surface Tension: 32.8 dyne/cm; (18)Density: 1.103 g/cm3; (19)Flash Point: 83.7 °C; (20)Enthalpy of Vaporization: 42.29 kJ/mol; (21)Boiling Point: 204.7 °C at 760 mmHg; (22)Vapour Pressure: 0.371 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc(OCC)ccc1
(2)InChI: InChI=1/C8H9ClO/c1-2-10-8-5-3-4-7(9)6-8/h3-6H,2H2,1H3
(3)InChIKey: HNMYSCABMYNGTP-UHFFFAOYAT