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Basic Information
CAS No.: 26673-32-5
Name: 7-Chloro-1-tetralone
Article Data: 2
Molecular Structure:
Molecular Structure of 26673-32-5 (7-Chloro-1-tetralone)
Formula: C10H9ClO
Molecular Weight: 180.634
Synonyms: 7-Chloro-1,2,3,4-tetrahydro-1-oxonaphthalene;7-Chloro-3,4-dihydro-1(2H)-naphthalenone;7-Chloro-3,4-dihydro-2H-naphthalen-1-one;7-Chloro-a-tetralone;NSC 83813;
EINECS: 808-026-1
Density: 1.248 g/cm3
Melting Point: 93.0 to 97.0 °C
Boiling Point: 297.2 °C at 760 mmHg
Flash Point: 142.4 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 17.07000
LogP: 2.85900
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Specification

The 7-Chloro-1-tetralone, with CAS registry number 26673-32-5, has the systematic name of 7-chloro-3,4-dihydronaphthalen-1(2H)-one. And its IUPAC name is the same one. Besides this, it is also called 1(2H)-naphthalenone, 7-chloro-3,4-dihydro-. And the chemical formula of this chemical is C10H9ClO.

Physical properties of 7-Chloro-1-tetralone: (1)ACD/LogP: 3.46; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.578; (8)Molar Refractivity: 48.06 cm3; (9)Molar Volume: 144.7 cm3; (10)Polarizability: 19.05×10-24cm3; (11)Surface Tension: 45 dyne/cm; (12)Enthalpy of Vaporization: 53.7 kJ/mol; (13)Vapour Pressure: 0.00137 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc1c(C(=O)CCC1)c2
(2)InChI: InChI=1/C10H9ClO/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6H,1-3H2
(3)InChIKey: IIMAYXKDBHTQHC-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C10H9ClO/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6H,1-3H2
(5)Std. InChIKey: IIMAYXKDBHTQHC-UHFFFAOYSA-N