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3547-07-7

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Basic Information
CAS No.: 3547-07-7
Name: 4-(P-CHLOROPHENOXY)BUTYRIC ACID
Article Data: 10
Molecular Structure:
Molecular Structure of 3547-07-7 (4-(P-CHLOROPHENOXY)BUTYRIC ACID)
Formula: C10H11ClO3
Molecular Weight: 214.649
Synonyms: 4-(4-Chlorophenoxy)butyric acid;4-(4-Chlorophenoxy)butanoic acid;4-(p-Chlorophenoxy)butyric acid;4-CPB;
Density: 1.266 g/cm3
Melting Point: 120 °C
Boiling Point: 383.1 °C at 760 mmHg
Flash Point: 185.5 °C
Solubility: 0.11g/L(25 oC)
PSA: 46.53000
LogP: 2.58360
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Specification

The Butanoic acid,4-(4-chlorophenoxy)-, with the CAS registry number of 3547-07-7, is also known as 4-(4-Chlorophenoxy)butyric acid. The molecular formula of this chemical is C10H11ClO3 and its molecular weight is 214.65. What's more, its IUPAC name is 4-(4-Chlorophenoxy)butanoic acid.

Physical properties about Butanoic acid,4-(4-chlorophenoxy)- are: (1)ACD/LogP: 2.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.99; (4)ACD/LogD (pH 7.4): 0.18; (5)ACD/BCF (pH 5.5): 11.13; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 103.58; (8)ACD/KOC (pH 7.4): 1.63; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 53.28 cm3; (15)Molar Volume: 169.5 cm3; (16)Polarizability: 21.12×10-24 cm3; (17)Surface Tension: 45.7 dyne/cm; (18)Density: 1.266 g/cm3; (19)Flash Point: 185.5 °C; (20)Enthalpy of Vaporization: 66.62 kJ/mol; (21)Boiling Point: 383.1 °C at 760 mmHg; (22)Vapour Pressure: 1.49E-06 mmHg at 25 °C.

Uses of Butanoic acid,4-(4-chlorophenoxy)-: it is used to produce other chemicals. For example, it is used to produce 7-Chloro-3,4-dihydro-1-benzoxepin-5(2H)-one. The reaction needs reagent PPA. The yield is about 57 %.

Butanoic acid,4-(4-chlorophenoxy)- can be used to produce 7-Chloro-3,4-dihydro-1-benzoxepin-5(2H)-one.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(OCCCC(=O)O)cc1
(2) InChI: InChI=1/C10H11ClO3/c11-8-3-5-9(6-4-8)14-7-1-2-10(12)13/h3-6H,1-2,7H2,(H,12,13)
(3) InChIKey: SIYAHZSHQIPQLY-UHFFFAOYAU