Anthracene,2-(iodomethyl)- supplier

Name
2-(IODOMETHYL)-ANTHRACENE
EINECS
CAS No. 117929-45-0
Article Data1
CAS DataBase
Density 1.65g/cm³
Solubility
Melting Point
Formula C₁₅H₁₁I
Boiling Point 431.1 °C at 760 mmHg
Molecular Weight 318.157
Flash Point 225 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(IODOMETHYL)-ANTHRACENE
PSA 0.00000
LogP 4.92800

Anthracene,2-(iodomethyl)- Specification

The Anthracene,2-(iodomethyl)-, with CAS registry number 117929-45-0, has the systematic name of 2-(iodomethyl)anthracene. Its molecular weight is 318.15. And the chemical formula of this chemical is C₁₅H₁₁I.

Physical properties of Anthracene,2-(iodomethyl)-: (1)ACD/LogP: 5.62; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.62; (4)ACD/LogD (pH 7.4): 5.62; (5)ACD/BCF (pH 5.5): 10914.27; (6)ACD/BCF (pH 7.4): 10914.27; (7)ACD/KOC (pH 5.5): 27038.7; (8)ACD/KOC (pH 7.4): 27038.7; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.766; (14)Molar Refractivity: 79.82 cm³; (15)Molar Volume: 192.8 cm³; (16)Polarizability: 31.64×10^-24cm³; (17)Surface Tension: 55.2 dyne/cm; (18)Density: 1.65 g/cm³; (19)Flash Point: 225 °C; (20)Enthalpy of Vaporization: 66.01 kJ/mol; (21)Boiling Point: 431.1 °C at 760 mmHg; (22)Vapour Pressure: 3.11E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ICc3ccc2cc1ccccc1cc2c3
(2)InChI: InChI=1/C15H11I/c16-10-11-5-6-14-8-12-3-1-2-4-13(12)9-15(14)7-11/h1-9H,10H2
(3)InChIKey: JWHPNTYBBINCLX-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C15H11I/c16-10-11-5-6-14-8-12-3-1-2-4-13(12)9-15(14)7-11/h1-9H,10H2
(5)Std. InChIKey: JWHPNTYBBINCLX-UHFFFAOYSA-N

Product Name

2-(IODOMETHYL)-ANTHRACENE

Anthracene,2-(iodomethyl)- Specification

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