Anthracene, 9-chloro- CAS NO.716-53-0

The Anthracene, 9-chloro-, with CAS registry number 716-53-0, belongs to the following product categories: (1)Miscellaneous; (2)Aryl; (3)C13 to C37+; (4)Halogenated Hydrocarbons. It has the systematic name of 9-chloroanthracene. Its classification code is Mutation data. And the chemical formula of this chemical is C₁₄H₉Cl. And the chemical formula of this chemical is C₁₄H₉Cl.

Physical properties of Anthracene, 9-chloro-: (1)ACD/LogP: 5.28; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.27; (4)ACD/LogD (pH 7.4): 5.27; (5)ACD/BCF (pH 5.5): 6009.08; (6)ACD/BCF (pH 7.4): 6009.08; (7)ACD/KOC (pH 5.5): 17638.55; (8)ACD/KOC (pH 7.4): 17638.55; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.717; (14)Molar Refractivity: 66.83 cm³; (15)Molar Volume: 169.6 cm³; (16)Polarizability: 26.49×10^-24cm³; (17)Surface Tension: 49.9 dyne/cm; (18)Density: 1.253 g/cm³; (19)Flash Point: 179.2 °C; (20)Enthalpy of Vaporization: 59.27 kJ/mol; (21)Boiling Point: 370.1 °C at 760 mmHg; (22)Vapour Pressure: 2.42E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by anthracene. This reaction will need reagent chlorine.

Uses of Anthracene, 9-chloro-: it can be used to produce anthracene. This reaction will need reagent triethylamine and solvent acetonitrile.

When you are using this chemical, please be cautious about it as the following:
The Anthracene, 9-chloro- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2c3c(cc1c2cccc1)cccc3
(2)InChI: InChI=1/C14H9Cl/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H
(3)InChIKey: KULLJOPUZUWTMF-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C14H9Cl/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H
(5)Std. InChIKey: KULLJOPUZUWTMF-UHFFFAOYSA-N

The Anthracene, 9-chloro-, with CAS registry number 716-53-0, belongs to the following product categories: (1)Miscellaneous; (2)Aryl; (3)C13 to C37+; (4)Halogenated Hydrocarbons. It has the systematic name of 9-chloroanthracene. Its classification code is Mutation data. And the chemical formula of this chemical is C₁₄H₉Cl. And the chemical formula of this chemical is C₁₄H₉Cl.

Physical properties of Anthracene, 9-chloro-: (1)ACD/LogP: 5.28; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.27; (4)ACD/LogD (pH 7.4): 5.27; (5)ACD/BCF (pH 5.5): 6009.08; (6)ACD/BCF (pH 7.4): 6009.08; (7)ACD/KOC (pH 5.5): 17638.55; (8)ACD/KOC (pH 7.4): 17638.55; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.717; (14)Molar Refractivity: 66.83 cm³; (15)Molar Volume: 169.6 cm³; (16)Polarizability: 26.49×10^-24cm³; (17)Surface Tension: 49.9 dyne/cm; (18)Density: 1.253 g/cm³; (19)Flash Point: 179.2 °C; (20)Enthalpy of Vaporization: 59.27 kJ/mol; (21)Boiling Point: 370.1 °C at 760 mmHg; (22)Vapour Pressure: 2.42E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by anthracene. This reaction will need reagent chlorine.

Uses of Anthracene, 9-chloro-: it can be used to produce anthracene. This reaction will need reagent triethylamine and solvent acetonitrile.

When you are using this chemical, please be cautious about it as the following:
The Anthracene, 9-chloro- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2c3c(cc1c2cccc1)cccc3
(2)InChI: InChI=1/C14H9Cl/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H
(3)InChIKey: KULLJOPUZUWTMF-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C14H9Cl/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H
(5)Std. InChIKey: KULLJOPUZUWTMF-UHFFFAOYSA-N