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40484-36-4

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Basic Information
CAS No.: 40484-36-4
Name: 6-(CHLOROMETHYL)PHENANTHRIDINE
Article Data: 7
Molecular Structure:
Molecular Structure of 40484-36-4 (6-(CHLOROMETHYL)PHENANTHRIDINE)
Formula: C14H10ClN
Molecular Weight: 227.693
Synonyms: 6-(Chloromethyl)phenanthridine;NSC 8011;
Density: 1.274 g/cm3
Boiling Point: 394.2 °C at 760 mmHg
Flash Point: 224.5 °C
PSA: 12.89000
LogP: 4.12680
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Specification

The Phenanthridine,6-(chloromethyl)- is an organic compound with the formula C14H10ClN. The IUPAC name of this chemical is 6-(chloromethyl)phenanthridine. With the CAS registry number 40484-36-4, it is also named as 6-Chloromethyl-phenanthridine.

Physical properties about Phenanthridine,6-(chloromethyl)- are: (1)ACD/LogP: 3.58; (2)#H bond acceptors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 12.89 Å2; (5)Index of Refraction: 1.71; (6)Molar Refractivity: 69.79 cm3; (7)Molar Volume: 178.5 cm3; (8)Polarizability: 27.66×10-24cm3; (9)Surface Tension: 54.1 dyne/cm; (10)Density: 1.274 g/cm3; (11)Flash Point: 224.5 °C; (12)Enthalpy of Vaporization: 61.91 kJ/mol; (13)Boiling Point: 394.2 °C at 760 mmHg; (14)Vapour Pressure: 4.56E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc2nc3c(c1ccccc12)cccc3
(2)InChI: InChI=1/C14H10ClN/c15-9-14-12-7-2-1-5-10(12)11-6-3-4-8-13(11)16-14/h1-8H,9H2
(3)InChIKey: LIFHMKCDDVTICL-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C14H10ClN/c15-9-14-12-7-2-1-5-10(12)11-6-3-4-8-13(11)16-14/h1-8H,9H2
(5)Std. InChIKey: LIFHMKCDDVTICL-UHFFFAOYSA-N