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13001-28-0

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Basic Information
CAS No.: 13001-28-0
Name: 1-Chloro-4-(2-chloroethoxy)benzene
Article Data: 9
Molecular Structure:
Molecular Structure of 13001-28-0 (1-Chloro-4-(2-chloroethoxy)benzene)
Formula: C8H8Cl2O
Molecular Weight: 191.057
Synonyms: Phenetole, p,b-dichloro- (6CI,7CI,8CI);2-Chloroethyl 4-chlorophenyl ether;4-(2-Chloroethoxy)chlorobenzene;2-(4-Chlorophenoxy)ethyl chloride;
EINECS: 235-833-0
Density: 1.246 g/cm3
Melting Point: 39 °C
Boiling Point: 257.8 °C at 760 mmHg
Flash Point: 106.5 °C
Appearance: White crystalline power
PSA: 9.23000
LogP: 2.95760
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Specification

The Benzene,1-chloro-4-(2-chloroethoxy)-, with the CAS registry number 13001-28-0, is also known as 2-(4-Chlorophenoxy)ethyl chloride. Its EINECS number is 235-833-0. This chemical's molecular formula is C8H8Cl2O and formula weight is 191.05. What's more, its IUPAC name is 1-chloro-4-(2-chloroethoxy)benzene. It is used to synthetic intermediates of sulfonylurea pesticide.

Physical properties of Benzene,1-chloro-4-(2-chloroethoxy)- are: (1)ACD/LogP: 3.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.28; (4)ACD/BCF (pH 5.5): 182.73; (5)ACD/KOC (pH 5.5): 1447.48; (6)#H bond acceptors: 1; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 9.23 Å2; (10)Index of Refraction: 1.529; (11)Molar Refractivity: 47.3 cm3; (12)Molar Volume: 153.2 cm3; (13)Surface Tension: 37 dyne/cm; (14)Density: 1.246 g/cm3; (15)Flash Point: 106.5 °C; (16)Enthalpy of Vaporization: 47.53 kJ/mol; (17)Boiling Point: 257.8 °C at 760 mmHg; (18)Vapour Pressure: 0.023 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1OCCCl)Cl
(2)InChI: InChI=1S/C8H8Cl2O/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4H,5-6H2
(3)InChIKey: DFJCCNZMGVNBKQ-UHFFFAOYSA-N