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82-42-8

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Basic Information
CAS No.: 82-42-8
Name: 1-chloro-4-hydroxyanthraquinone
Article Data: 17
Molecular Structure:
Molecular Structure of 82-42-8 (1-chloro-4-hydroxyanthraquinone)
Formula: C14H7ClO3
Molecular Weight: 258.661
Synonyms: Anthraquinone,1-chloro-4-hydroxy- (6CI,8CI);1-Chloro-4-hydroxy-9,10-anthraquinone;1-Chloro-4-hydroxyanthraquinone;1-Hydroxy-4-chloro-9,10-anthraquinone;1-Hydroxy-4-chloroanthraquinone;NSC 508993;1-Chloro-4-hydroxyanthracene-9,10-dione;
EINECS: 201-419-3
Density: 1.526 g/cm3
Boiling Point: 468.3 °C at 760 mmHg
Flash Point: 237 °C
PSA: 54.37000
LogP: 2.82100
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Specification

The 9,10-Anthracenedione,1-chloro-4-hydroxy-, with the CAS registry number 82-42-8, is also known as 1-Chloro-4-hydroxyanthraquinone. This chemical's molecular formula is C14H7ClO3 and molecular weight is 258.66. What's more, its systematic name is 1-Chloro-4-hydroxyanthracene-9,10-dione and its EINECS number is 201-419-3.

Physical properties of 9,10-Anthracenedione,1-chloro-4-hydroxy- are: (1)ACD/LogP: 4.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.89; (4)ACD/LogD (pH 7.4): 4.12; (5)ACD/BCF (pH 5.5): 3023.07; (6)ACD/BCF (pH 7.4): 514.88; (7)ACD/KOC (pH 5.5): 10591.42; (8)ACD/KOC (pH 7.4): 1803.9; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.699; (14)Molar Refractivity: 65.44 cm3; (15)Molar Volume: 169.4 cm3; (16)Polarizability: 25.94×10-24 cm3; (17)Surface Tension: 68.3 dyne/cm; (18)Density: 1.526 g/cm3; (19)Flash Point: 237 °C; (20)Enthalpy of Vaporization: 75.83 kJ/mol; (21)Boiling Point: 468.3 °C at 760 mmHg; (22)Vapour Pressure: 2.17E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)Cl)O
(2)InChI: InChI=1S/C14H7ClO3/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,16H
(3)InChIKey: TUZZWPYZPHNFJY-UHFFFAOYSA-N