Basic information
- Name:
Naphthalene,1-(iodomethyl)-
- CAS No.:
24471-54-3
- Molecular Structure:
- Formula:
- C11H9I
- Molecular Weight:
- 268.09
- Synonyms:
- 1-(Iodomethyl)naphthalene;1-Naphthyliodomethane;
- Density:
- 1.689 g/cm3
- Boiling Point:
- 331.9 °C at 760 mmHg
- Flash Point:
- 165.7 °C
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Specification
This chemical is called Naphthalene, 1-(iodomethyl)-, and its systematic name is 1-(iodomethyl)naphthalene. With the molecular formula of C11H9I, its molecular weight is 268.09. The CAS registry number of this chemical is 24471-54-3.
Other characteristics of the Naphthalene, 1-(iodomethyl)- can be summarised as followings: (1)ACD/LogP: 4.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.39; (4)ACD/LogD (pH 7.4): 4.39; (5)ACD/BCF (pH 5.5): 1266.67; (6)ACD/BCF (pH 7.4): 1266.67; (7)ACD/KOC (pH 5.5): 5787.43; (8)ACD/KOC (pH 7.4): 5787.43; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.709; (13)Molar Refractivity: 61.98 cm3; (14)Molar Volume: 158.6 cm3; (15)Polarizability: 24.57×10-24cm3; (16)Surface Tension: 49.9 dyne/cm; (17)Density: 1.689 g/cm3; (18)Flash Point: 165.7 °C; (19)Enthalpy of Vaporization: 55.19 kJ/mol; (20)Boiling Point: 331.9 °C at 760 mmHg; (21)Vapour Pressure: 0.000291 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: ICc2cccc1ccccc12
2.InChI: InChI=1/C11H9I/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2
3.InChIKey: XQXNMQAQDHEQSB-UHFFFAOYAF