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| CAS No.: | 2050-76-2 |
|---|---|
| Name: | 2,4-DICHLORO-1-NAPHTHOL |
| Article Data: | 19 |
| Molecular Structure: | |
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|
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| Formula: | C10H6Cl2O |
| Molecular Weight: | 213.063 |
| Synonyms: | 1-Naphthol,2,4-dichloro- (6CI,7CI,8CI);2,4-Dichloro-1-naphthol;2,4-Dichloro-a-naphthol;2,4-Dichloronaphthol;NSC 6322; |
| EINECS: | 218-103-6 |
| Density: | 1.46 g/cm3 |
| Melting Point: | 104-107 °C(lit.) |
| Boiling Point: | 340.2 °C at 760 mmHg |
| Flash Point: | 134 °C |
| Appearance: | beige-yellowish crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 20.23000 |
| LogP: | 3.85220 |
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Specification
The CAS register number of 1-Naphthalenol,2,4-dichloro- is 2050-76-2. It also can be called as 2,4-Dichloro-1-naphthalenol and the IUPAC name about this chemical is 2,4-dichloronaphthalen-1-ol. The molecular formula about this chemical is C10H6Cl2O and the molecular weight is 213.06. It belongs to the following product categories which include Industrial/Fine Chemicals; Aromatic Halides (substituted); Organic Building Blocks; Oxygen Compounds; Phenols and so on.
Physical properties about 1-Naphthalenol,2,4-dichloro- are: (1)ACD/LogP: 4.23; (2)ACD/LogD (pH 5.5): 4.18; (3)ACD/LogD (pH 7.4): 3.26; (4)ACD/BCF (pH 5.5): 868.07; (5)ACD/BCF (pH 7.4): 104.73; (6)ACD/KOC (pH 5.5): 4294.44; (7)ACD/KOC (pH 7.4): 518.12; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 9.23Å2; (12)Index of Refraction: 1.69; (13)Molar Refractivity: 55.76 cm3; (14)Molar Volume: 145.8 cm3; (15)Polarizability: 22.1x10-24cm3; (16)Surface Tension: 55.3 dyne/cm; (17)Flash Point: 134 °C; (18)Enthalpy of Vaporization: 60.68 kJ/mol; (19)Boiling Point: 340.2 °C at 760 mmHg; (20)Vapour Pressure: 4.43E-05 mmHg at 25°C.
Uses of 1-Naphthalenol,2,4-dichloro-: it can be used to produce 4-chloro-[1,2]naphthoquinone and 2-chloro-[1,4]naphthoquinone at ambient temperature. This reaction will need reagent Lead(IV) acetate and solvent acetonitrile with reaction time of 10 hours. The yield is about 27%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2c1ccccc1c(O)c(Cl)c2
(2)InChI: InChI=1/C10H6Cl2O/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,13H
(3)InChIKey: HVLJEMXDXOTWLV-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C10H6Cl2O/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,13H
(5)Std. InChIKey: HVLJEMXDXOTWLV-UHFFFAOYSA-N