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1891-14-1

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Basic Information
CAS No.: 1891-14-1
Name: 4-Chloro-1,10-phenanthroline
Article Data: 5
Molecular Structure:
Molecular Structure of 1891-14-1 (4-Chloro-1,10-phenanthroline)
Formula: C12H7ClN2
Molecular Weight: 214.654
Synonyms: 4-Chloro-1,10-diazaphenanthrene;4-Chloro-1,10-phenanthroline;
Density: 1.375 g/cm3
Melting Point: 180-230℃
Boiling Point: 380.5 °C at 760 mmHg
Flash Point: 215.8 °C
PSA: 25.78000
LogP: 3.43640
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Specification

The 1,10-Phenanthroline,4-chloro- is an organic compound with the formula C12H7ClN2. The systematic name of this chemical is 4-Chloro-1,10-phenanthroline. The CAS registry number of this chemical is 1891-14-1. The category of the product is Electronic Chemicals. Besides, its molecular weight is 214.03.

The physical properties of 1,10-Phenanthroline,4-chloro- are: (1)ACD/LogP: 2.48; (2)ACD/LogD (pH 5.5): 2.46; (3)ACD/LogD (pH 7.4): 2.47; (4)ACD/BCF (pH 5.5): 43.32; (5)ACD/BCF (pH 7.4): 44.76; (6)ACD/KOC (pH 5.5): 511.75; (7)ACD/KOC (pH 7.4): 528.75; (8)#H bond acceptors: 2; (9)Polar Surface Area: 25.78 Å2; (10)Index of Refraction: 1.741; (11)Molar Refractivity: 63.01 cm3; (12)Molar Volume: 156 cm3; (13)Polarizability: 24.98×10-24 cm3; (14)Surface Tension: 62.6 dyne/cm; (15)Density: 1.375 g/cm3; (16)Flash Point: 215.8 °C; (17)Enthalpy of Vaporization: 60.4 kJ/mol; (18)Boiling Point: 380.5 °C at 760 mmHg; (19)Vapour Pressure: 1.19E-05 mmHg at 25 °C. 

You can still convert the following datas into molecular structure:
(1)SMILES: Clc3ccnc2c3ccc1cccnc12
(2)Std. InChI: InChI=1S/C12H7ClN2/c13-10-5-7-15-12-9(10)4-3-8-2-1-6-14-11(8)12/h1-7H
(3)Std. InChIKey: BAEVILLEIGDCDN-UHFFFAOYSA-N