CAS No.4619-18-5,4-(4-Chlorophenyl)butanic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4619-18-5
Name:	4-(4-Chlorophenyl)butanic acid
Article Data:	28

Formula:	C₁₀H₁₁ClO₂
Molecular Weight:	198.649
Synonyms:	Butyricacid, 4-(p-chlorophenyl)- (7CI,8CI);4-(4-Chlorophenyl)butanoic acid;4-(4-Chlorophenyl)butyric acid;4-(p-Chlorophenyl)butyric acid;4-Chlorobenzenebutanoic acid;NSC 90008;
Density:	1.227 g/cm³
Melting Point:	55 °C
Boiling Point:	323 °C at 760 mmHg
Flash Point:	149.2 °C
PSA:	37.30000
LogP:	2.74730

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Specification

The IUPAC name of 4-(4-Chlorophenyl)butyric acid is 4-(4-chlorophenyl)butanoic acid. With the CAS registry number 4619-18-5, it is also named as Benzenebutanoic acid,4-chloro-. In addition, its molecular formula is C₁₀H₁₁ClO₂ and molecular weight is 198.65.

The other characteristics of 4-(4-Chlorophenyl)butyric acid can be summarized as: (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.18; (4)ACD/LogD (pH 7.4): 0.38; (5)ACD/BCF (pH 5.5): 16.89; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 152.6; (8)ACD/KOC (pH 7.4): 2.43; (9)H bond acceptors: 2; (10)H bond donors: 1; (11)Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 51.52 cm³; (15)Molar Volume: 161.8 cm³; (16)Polarizability: 20.42×10^-24cm³; (17)Surface Tension: 45.8 dyne/cm; (18)Density: 1.227 g/cm³; (19)Flash Point: 149.2 °C; (20)Enthalpy of Vaporization: 59.64 kJ/mol; (21)Boiling Point: 323 °C at 760 mmHg; (22)Vapour Pressure: 0.000111 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Clc1ccc(cc1)CCCC(=O)O
(2)InChI:InChI=1/C10H11ClO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7H,1-3H2,(H,12,13)
(3)InChIKey:YJMDORBRISAZSC-UHFFFAOYAT
(4)Std. InChI:InChI=1S/C10H11ClO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7H,1-3H2,(H,12,13)
(5)Std. InChIKey:YJMDORBRISAZSC-UHFFFAOYSA-N