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2033-42-3

Basic Information
CAS No.: 2033-42-3
Name: 1-Iodo-2-naphthol
Article Data: 67
Molecular Structure:
Molecular Structure of 2033-42-3 (1-Iodo-2-naphthol)
Formula: C10H7IO
Molecular Weight: 270.069
Synonyms: 2-Naphthol,1-iodo- (6CI,7CI,8CI);1-Iodo-2-naphthalenol;2-Hydroxy-1-iodonaphthalene;NSC 87885;
Density: 1.875 g/cm3
Melting Point: 92-96 °C(lit.)
Boiling Point: 307 °C at 760 mmHg
Flash Point: 139.4 °C
Hazard Symbols: IrritantXi, DangerousN
Risk Codes: 38-41-52/53
Safety: 26-36/37/39-61
PSA: 20.23000
LogP: 3.15000
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Specification

The 1-Iodo-2-naphthol with the CAS number 2033-42-3 is also called 2-Naphthalenol, 1-iodo-. Both the systematic name and IUPAC name are 1-iodonaphthalen-2-ol. Its molecular formula is C10H7IO. This chemical belongs to the following product categories: (1)Methyl Halides; (2)API intermediates; (3)Fused Ring Systems; (4)Halides; (5)Methyl Halides.

The properties of the 1-Iodo-2-naphthol are: (1)ACD/LogP: 3.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.88; (4)ACD/LogD (pH 7.4): 3.68; (5)ACD/BCF (pH 5.5): 520.13; (6)ACD/BCF (pH 7.4): 329.37; (7)ACD/KOC (pH 5.5): 3054.08; (8)ACD/KOC (pH 7.4): 1934.01; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.753; (14)Molar Refractivity: 58.88 cm3; (15)Molar Volume: 144 cm3; (16)Polarizability: 23.34×10-24cm3; (17)Surface Tension: 60.4 dyne/cm; (18)Enthalpy of Vaporization: 56.94 kJ/mol; (19)Vapour Pressure: 0.000412 mmHg at 25°C.

Preparation: This chemical can be prepared by naphthalen-2-ol. This reaction needs reagent diethyl ether, dioxane and ICl.

Uses: This chemical can prepare naphthalen-2-ol and [1,1']binaphthalenyl-2,2'-diol. This reaction needs reagent Et4NOTs catalyst Pd(II)Cl2(Ph3P)2 and solvent dimethylformamide. The yield is 16%. This reaction needs ambient temperature and electrolysis.

While using this chemical, you should be very cautious. This chemical is irritating to skin and risk of serious damage to the eyes. What's more, it is harmful to aquatic organisms and may cause long-term adverse effects in the aquatic environment.Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Finally you should avoid this chemical release to the environment. Refer to special instructions / safety data sheets.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1c2c(ccc1O)cccc2
(2)InChI: InChI=1/C10H7IO/c11-10-8-4-2-1-3-7(8)5-6-9(10)12/h1-6,12H
(3)InChIKey: JEVGGOSILOIIHN-UHFFFAOYAO

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01727,