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| CAS No.: | 573-97-7 |
|---|---|
| Name: | 1-Bromo-2-naphthol |
| Molecular Structure: | |
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| Formula: | C10H7BrO |
| Molecular Weight: | 223.069 |
| Synonyms: | 2-Naphthol,1-bromo- (7CI,8CI);1-Bromo-2-hydroxynaphthalene;1-Bromo-b-naphthol;1-Bromonaphthalen-2-ol;Disthemin;NSC 60275;Wormin;a-Bromo-b-naphthol; |
| EINECS: | 209-363-1 |
| Density: | 1.614 g/cm3 |
| Melting Point: | 78-81 °C(lit.) |
| Boiling Point: | 313.731 °C at 760 mmHg |
| Flash Point: | 143.539 °C |
| Appearance: | off-white to beige or brown-purple powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 20.23000 |
| LogP: | 3.30790 |
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Specification
The 1-Bromo-2-naphthol, with the CAS registry number 573-97-7, is also known as 2-Naphthol, bromo-. It belongs to the product categories of API Intermediates; Organic Building Blocks; Oxygen Compounds; Phenols. Its EINECS registry number is 209-363-1. This chemical's molecular formula is C10H7BrO and molecular weight is 223.07. What's more, both its IUPAC name and systematic name are the same which is called 1-Bromonaphthalen-2-ol.
Physical properties about 1-Bromo-2-naphthol are: (1)ACD/LogP: 3.561; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.55; (4)ACD/LogD (pH 7.4): 3.20; (5)ACD/BCF (pH 5.5): 294.62; (6)ACD/BCF (pH 7.4): 129.79; (7)ACD/KOC (pH 5.5): 2028.11; (8)ACD/KOC (pH 7.4): 893.46; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.705; (14)Molar Refractivity: 53.667 cm3; (15)Molar Volume: 138.164 cm3; (16)Polarizability: 21.275×10-24 cm3; (17)Surface Tension: 55.21 dyne/cm; (18)Density: 1.615 g/cm3; (19)Flash Point: 143.539 °C; (20)Enthalpy of Vaporization: 57.695 kJ/mol; (21)Boiling Point: 313.731 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
Preparation of 1-Bromo-2-naphthol: this chemical can be prepared by naphthalen-2-ol. This reaction needs reagent 4,4-dibromo-3-methylpyrazol-5-one and solvent acetic acid at ambient temperature. The reaction time is 20 hours. The yield is 94 %.
Uses of 1-Bromo-2-naphthol: (1) it is used as dye intermediates and organic synthesis. The product is also a helminthic drugs for hookworm infection; (2) it is used to produce other chemicals. For example, it can react with sulfuric acid dimethyl ester to get (1-bromo-[2]naphthyl)-methyl ether. The reaction occurs with reagents NaOH, aliquat 336 and solvent CH2Cl2 at temperature of 20 °C. The yield is 94 %.
![1-Bromo-2-naphthol can react with sulfuric acid dimethyl ester to get (1-bromo-[2]naphthyl)-methyl ether.](/UserFilesUpload/Uses of 1-Bromo-2-naphthol.jpg)
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc2c(O)ccc1ccccc12
(2) InChI: InChI=1S/C10H7BrO/c11-10-8-4-2-1-3-7(8)5-6-9(10)12/h1-6,12H
(3) InChIKey: FQJZPYXGPYJJIH-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 425mg/kg (425mg/kg) | Indian Journal of Pharmacy. Vol. 30, Pg. 89, 1968. | |
| mouse | LD50 | oral | 1125mg/kg (1125mg/kg) | Pharmazie. Vol. 30, Pg. 147, 1975. |