CAS No.3952-42-9,9-N-BUTYLFLUORENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3952-42-9
Name:	9-N-BUTYLFLUORENE
Article Data:	1

Formula:	C₁₇H₁₈
Molecular Weight:	222.33
Synonyms:	Fluorene,9-butyl- (6CI,7CI,8CI);9-Butylfluorene;9-n-Butylfluorene;
Density:	1.015g/cm³
Boiling Point:	344.7 °C at 760 mmHg
Flash Point:	172.7 °C
PSA:	0.00000
LogP:	4.98910

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Specification

The 9H-Fluorene, 9-butyl-, with CAS registry number 3952-42-9, has the systematic name of 9-butyl-9H-fluorene. Besides this, it is also called 9-N-Butylfluorene. And the chemical formula of this chemical is C₁₇H₁₈. Its molecular weight is 222.32.

Physical properties of 9H-Fluorene, 9-butyl-: (1)ACD/LogP: 6.25; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.25; (4)ACD/LogD (pH 7.4): 6.25; (5)ACD/BCF (pH 5.5): 33096.75; (6)ACD/BCF (pH 7.4): 33096.75; (7)ACD/KOC (pH 5.5): 59820; (8)ACD/KOC (pH 7.4): 59820; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 72.38 cm³; (15)Molar Volume: 218.9 cm³; (16)Polarizability: 28.69×10^-24cm³; (17)Surface Tension: 39.9 dyne/cm; (18)Density: 1.015 g/cm³; (19)Flash Point: 172.7 °C; (20)Enthalpy of Vaporization: 56.54 kJ/mol; (21)Boiling Point: 344.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000129 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cccc3c1c2c(cccc2)C3CCCC
(2)InChI: InChI=1/C17H18/c1-2-3-8-13-14-9-4-6-11-16(14)17-12-7-5-10-15(13)17/h4-7,9-13H,2-3,8H2,1H3
(3)InChIKey: RBDADLSAYYPJAN-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C17H18/c1-2-3-8-13-14-9-4-6-11-16(14)17-12-7-5-10-15(13)17/h4-7,9-13H,2-3,8H2,1H3
(5)Std. InChIKey: RBDADLSAYYPJAN-UHFFFAOYSA-N