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71720-44-0

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Basic Information
CAS No.: 71720-44-0
Name: 4-(4-METHYLPHENOXY)BUTYL CHLORIDE, 98
Molecular Structure:
Molecular Structure of 71720-44-0 (4-(4-METHYLPHENOXY)BUTYL CHLORIDE, 98)
Formula: C11H15ClO
Molecular Weight: 198.692
Synonyms: 1-(4-Chlorobutoxy)-4-methylbenzene;4-Chlorobutyl 4-methylphenyl ether;1-Chloro-4-(4-Methylphenoxy)Butane;
EINECS: 275-893-5
Density: 1.042 g/cm3
Boiling Point: 293.4 °C at 760 mmHg
Flash Point: 133.5 °C
PSA: 9.23000
LogP: 3.39280
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Specification

The Benzene,1-(4-chlorobutoxy)-4-methyl-, with the CAS registry number 71720-44-0, is also known as 4-Chlorobutyl 4-methylphenyl ether. Its EINECS number is 275-893-5. This chemical's molecular formula is C11H15ClO and molecular weight is 198.69. What's more, its systematic name is 1-(4-chlorobutoxy)-4-methylbenzene.

Physical properties of Benzene,1-(4-chlorobutoxy)-4-methyl- are: (1)ACD/LogP: 3.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.96; (4)ACD/LogD (pH 7.4): 3.96; (5)ACD/BCF (pH 5.5): 599.52; (6)ACD/BCF (pH 7.4): 599.52; (7)ACD/KOC (pH 5.5): 3388.07; (8)ACD/KOC (pH 7.4): 3388.07; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.504; (14)Molar Refractivity: 56.5 cm3; (15)Molar Volume: 190.6 cm3; (16)Polarizability: 22.39×10-24cm3; (17)Surface Tension: 33.7 dyne/cm; (18)Density: 1.042 g/cm3; (19)Flash Point: 133.5 °C; (20)Enthalpy of Vaporization: 51.17 kJ/mol; (21)Boiling Point: 293.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00302 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCCCCOc1ccc(cc1)C
(2)Std. InChI: InChI=1S/C11H15ClO/c1-10-4-6-11(7-5-10)13-9-3-2-8-12/h4-7H,2-3,8-9H2,1H3
(3)Std. InChIKey: VWDLBAQKWPLCJR-UHFFFAOYSA-N