Phenyl 4-chloro-1-hydroxy-2-naphthoate supplier

Name
Phenyl 4-chloro-1-hydroxy-2-naphthoate
EINECS 252-943-4
CAS No. 36268-75-4
Article Data2
CAS DataBase
Density 1.374 g/cm³
Solubility
Melting Point
Formula C17H11 Cl O3
Boiling Point 461.7 °C at 760 mmHg
Molecular Weight 298.726
Flash Point 233 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Chloro-1-hydroxy-2-naphthoicacid phenyl ester;Phenyl 4-chloro-1-hydroxy-2-naphthoate;
PSA 46.53000
LogP 4.41800

Phenyl 4-chloro-1-hydroxy-2-naphthoate Specification

The Phenyl 4-chloro-1-hydroxy-2-naphthoate with the cas number 36268-75-4 is also called 2-naphthalenecarboxylic acid, 4-chloro-1-hydroxy-, phenyl ester. Both the systematic name and IUPAC name are phenyl 4-chloro-1-hydroxynaphthalene-2-carboxylate. Its EINECS registry number is 252-943-4. The molecular formula of this chemical is C₁₇H₁₁ClO₃.

The properties of the chemical are: (1)ACD/LogP: 5.93; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.91; (4)ACD/LogD (pH 7.4): 5.35; (5)ACD/BCF (pH 5.5): 18235.24; (6)ACD/BCF (pH 7.4): 4921.96; (7)ACD/KOC (pH 5.5): 38655.06; (8)ACD/KOC (pH 7.4): 10433.57; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.684; (14)Molar Refractivity: 82.51 cm³; (15)Molar Volume: 217.3 cm³; (16)Polarizability: 32.71×10^-24cm³; (17)Surface Tension: 57.8 dyne/cm; (18)Enthalpy of Vaporization: 75.03 kJ/mol; (19)Vapour Pressure: 3.82×10^-9mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1ccccc1)c3c(O)c2ccccc2c(Cl)c3
(2)InChI: InChI=1/C17H11ClO3/c18-15-10-14(16(19)13-9-5-4-8-12(13)15)17(20)21-11-6-2-1-3-7-11/h1-10,19H
(3)InChIKey: PRPJEXLNOGLBCN-UHFFFAOYAT

Product Name

Phenyl 4-chloro-1-hydroxy-2-naphthoate

Phenyl 4-chloro-1-hydroxy-2-naphthoate Specification

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