Phenetole, m-chloro- supplier

Name
3-CHLOROPHENETOLE
EINECS 220-185-3
CAS No. 2655-83-6
Article Data7
CAS DataBase
Density 1.103 g/cm³
Solubility
Melting Point
Formula C₈H₉ClO
Boiling Point 204.7 °C at 760 mmHg
Molecular Weight 156.612
Flash Point 83.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Chloro-3-ethoxybenzene;3-Chlorophenetole;
PSA 9.23000
LogP 2.73870

Phenetole, m-chloro- Specification

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

Product Name

3-CHLOROPHENETOLE

Phenetole, m-chloro- Specification

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