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| CAS No.: | 612-55-5 |
|---|---|
| Name: | 2-IODONAPHTHALENE |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C10H7I |
| Molecular Weight: | 254.07 |
| Synonyms: | 2-Iodonaphthalene;2-Naphthyl iodide;NSC 3786;Naphthalen-2-yl iodide;b-Iodonaphthalene; |
| Density: | 1.744 g/cm3 |
| Melting Point: | 52-56 °C |
| Boiling Point: | 307.5 °C at 760 mmHg |
| Flash Point: | 138.4 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38-51/53 |
| Safety: | 26-61 |
| Transport Information: | UN3077 |
| PSA: | 0.00000 |
| LogP: | 3.44440 |
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Specification
The Naphthalene, 2-iodo-, with CAS registry number 612-55-5, belongs to the following product categories: (1)Aryl; (2)C9 to C12; (3)Halogenated Hydrocarbons. It has the systematic name of 2-iodonaphthalene. Its IUPAC name is the same one. And the chemical formula of this chemical is C10H7I.
Physical properties of Naphthalene, 2-iodo-: (1)ACD/LogP: 4.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.51; (4)ACD/LogD (pH 7.4): 4.51; (5)ACD/BCF (pH 5.5): 1575.095; (6)ACD/BCF (pH 7.4): 1575.095; (7)ACD/KOC (pH 5.5): 6764.411; (8)ACD/KOC (pH 7.4): 6764.411; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.712; (14)Molar Refractivity: 57.002 cm3; (15)Molar Volume: 145.622 cm3; (16)Polarizability: 22.597×10-24cm3; (17)Surface Tension: 49.735 dyne/cm; (18)Density: 1.745 g/cm3; (19)Flash Point: 138.388 °C; (20)Enthalpy of Vaporization: 52.62 kJ/mol; (21)Boiling Point: 307.477 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
Uses of Naphthalene, 2-iodo-: it can be used to produce [2,2']binaphthalenyl. This reaction will need reagents lithium, diethyl ether.
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You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2cc(ccc2c1)I
(2)InChI: InChI=1/C10H7I/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
(3)InChIKey: FRNLBIWVMVNNAZ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C10H7I/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
(5)Std. InChIKey: FRNLBIWVMVNNAZ-UHFFFAOYSA-N