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| CAS No.: | 84-59-3 |
|---|---|
| Name: | 2,6-DIBROMO-1,5-DIHYDROXYNAPHTHALENE |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C10H6Br2O2 |
| Molecular Weight: | 317.964 |
| Synonyms: | 1,5-Dihydroxy-2,6-dibromonaphthalene;2,6-Dibromo-1,5-dihydroxynaphthalene;2,6-Dibromo-1,5-naphthalenediol;NSC62684; |
| EINECS: | 201-543-8 |
| Density: | 2.081 g/cm3 |
| Melting Point: | 78-81?°C(lit.) |
| Boiling Point: | 397.4 °C at 760 mmHg |
| Flash Point: | 194.2 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 40.46000 |
| LogP: | 3.77600 |
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Specification
This chemical is called 2,6-Dibromonaphthalene-1,5-diol, and it can also be named as 1,5-naphthalenediol, 2,6-dibromo-. With the molecular formula of C10H6Br2O2, its molecular weight is 317.96. The CAS registry number of this chemical is 84-59-3. In additon, this chemical is needle crystal, and it's soluble in ether, slightly soluble in chloroform, insoluble in carbon tetrachloride. However, this chemical should be stored sealed away from light.
Other characteristics of the 2,6-Dibromonaphthalene-1,5-diol can be summarised as followings: (1)ACD/LogP: 3.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.85; (4)ACD/LogD (pH 7.4): 2.48; (5)ACD/BCF (pH 5.5): 475.96; (6)ACD/BCF (pH 7.4): 20.02; (7)ACD/KOC (pH 5.5): 2722.21; (8)ACD/KOC (pH 7.4): 114.48; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.766; (14)Molar Refractivity: 63.23 cm3; (15)Molar Volume: 152.7 cm3; (16)Polarizability: 25.06×10-24cm3; (17)Surface Tension: 70.1 dyne/cm; (18)Density: 2.081 g/cm3; (19)Flash Point: 194.2 °C; (20)Enthalpy of Vaporization: 67.32 kJ/mol; (21)Boiling Point: 397.4 °C at 760 mmHg; (22)Vapour Pressure: 6.92E-07 mmHg at 25°C.
Uses of this chemical: The 2,6-Dibromonaphthalene-1,5-diol could react with 1-bromo-hexane, and obtain the 2,6-dibromo-1,5-bis-hexyloxy-naphthalene. This reaction needs the reagent of Na, and the solvent of ethanol. The yield is 43 %. In addition, this reaction should be taken for 5 hours, and the other condition is heating.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin, so you should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: Brc2c(O)c1ccc(Br)c(O)c1cc2
2.InChI: InChI=1/C10H6Br2O2/c11-7-3-1-5-6(10(7)14)2-4-8(12)9(5)13/h1-4,13-14H
3.InChIKey: GHJUWGHWJYULLK-UHFFFAOYAD
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | skin | > 2gm/kg (2000mg/kg) | Kodak Company Reports. Vol. 21MAY1971, | |
| rat | LD50 | intraperitoneal | > 3200mg/kg (3200mg/kg) | Kodak Company Reports. Vol. 21MAY1971, | |
| rat | LD50 | oral | > 3200mg/kg (3200mg/kg) | Kodak Company Reports. Vol. 21MAY1971, |