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Name |
Fluoranthene,3-(chloromethyl)- |
EINECS | N/A |
CAS No. | 957-52-8 | Density | 1.321 g/cm3 |
PSA | 0.00000 | LogP | 5.22600 |
Solubility | N/A | Melting Point |
N/A |
Formula | C17H11Cl | Boiling Point | 434.1 °C at 760 mmHg |
Molecular Weight | 250.727 | Flash Point | 201.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-(Chloromethyl)fluoranthene; |
The Fluoranthene,3-(chloromethyl)- is an organic compound with the formula C17H11Cl. With the CAS registry number 957-52-8, the IUPAC name of this chemical is 3-(chloromethyl)fluoranthene.
Physical properties about Fluoranthene,3-(chloromethyl)- are: (1)ACD/LogP: 5.44; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.44; (4)ACD/LogD (pH 7.4): 5.44; (5)ACD/BCF (pH 5.5): 8018.04; (6)ACD/BCF (pH 7.4): 8018.04; (7)ACD/KOC (pH 5.5): 21683.16; (8)ACD/KOC (pH 7.4): 21683.16; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.815; (11)Molar Refractivity: 82.22 cm3; (12)Molar Volume: 189.6 cm3; (13)Polarizability: 32.59×10-24cm3; (14)Surface Tension: 58.6 dyne/cm; (15)Density: 1.321 g/cm3; (16)Flash Point: 201.2 °C; (17)Enthalpy of Vaporization: 66.35 kJ/mol; (18)Boiling Point: 434.1 °C at 760 mmHg; (19)Vapour Pressure: 2.47E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClCc4ccc2c1ccccc1c3c2c4ccc3
(2)InChI: InChI=1/C17H11Cl/c18-10-11-8-9-16-14-5-2-1-4-13(14)15-7-3-6-12(11)17(15)16/h1-9H,10H2
(3)InChIKey: HNQCQEGJQSCZMU-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C17H11Cl/c18-10-11-8-9-16-14-5-2-1-4-13(14)15-7-3-6-12(11)17(15)16/h1-9H,10H2
(5)Std. InChIKey: HNQCQEGJQSCZMU-UHFFFAOYSA-N