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Cas Database |
| Name |
2-Bromo-7-hydroxynaphthalene |
EINECS | 628-835-1 |
| CAS No. | 116230-30-9 | Density | 1.614 g/cm3 |
| PSA | 20.23000 | LogP | 3.30790 |
| Solubility | N/A | Melting Point |
133-138 °C |
| Formula | C10H7BrO | Boiling Point | 353.8 °C at 760 mmHg |
| Molecular Weight | 223.069 | Flash Point | 167.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-39 | Risk Codes |
 Xi:; |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
7-Bromo-2-naphthalenol;7-Bromonaphth-2-ol; |
Article Data | 16 |
2-Bromo-7-hydroxynaphthalene Synthetic route
- 582-17-2
2,7-Dihydroxynaphthalene
- 116230-30-9
7-bromonaphthalen-2-ol
| Conditions | Yield |
|---|---|
| With bromine; triphenylphosphine In acetonitrile at 70 - 250℃; for 1.25h; | 84% |
| With bromine; triphenylphosphine In acetonitrile at 0 - 250℃; for 1.5h; | 84% |
| With bromine; triphenylphosphine In acetonitrile at 70℃; for 1h; Schlenk technique; | 66% |
- 5060-82-2
7-methoxy-2-naphthol
- 116230-30-9
7-bromonaphthalen-2-ol
| Conditions | Yield |
|---|---|
| Stage #1: 7-methoxy-2-naphthol With bromine; triphenylphosphine In acetonitrile for 2h; Reflux; Stage #2: at 250℃; Sealed tube; | 19% |
- 709667-62-9
3,7-dibromo-[2]naphthol
- 116230-30-9
7-bromonaphthalen-2-ol
| Conditions | Yield |
|---|---|
| With sodium amalgam |
- 861072-57-3
7-Hydrazino-[2]naphthol
- 116230-30-9
7-bromonaphthalen-2-ol
| Conditions | Yield |
|---|---|
| With hydrogen bromide; copper(ll) bromide |
- 861072-57-3
7-Hydrazino-[2]naphthol
- 116230-30-9
7-bromonaphthalen-2-ol
- 116230-30-9
7-bromonaphthalen-2-ol
| Conditions | Yield |
|---|---|
| With N-Bromosuccinimide In acetonitrile at 20℃; for 3h; | 100% |
| With pyridinium perbromide hydrobromide In acetonitrile at 0℃; |
- 116230-30-9
7-bromonaphthalen-2-ol
- 18162-48-6
tert-butyldimethylsilyl chloride
- 1314130-89-6
2-bromo-7-[[(1,1-dimethylethyl)dimethylsilyl]oxy]naphthalene
| Conditions | Yield |
|---|---|
| With 1H-imidazole; dmap In N,N-dimethyl-formamide at 20℃; for 0.5h; | 99% |
| With 1H-imidazole In dichloromethane at 20℃; for 4h; | 88% |
| With 1H-imidazole In dichloromethane at 0 - 20℃; | |
| With 1H-imidazole In dichloromethane at 0 - 20℃; |
| Conditions | Yield |
|---|---|
| With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In tetrahydrofuran at 90℃; Inert atmosphere; | 99% |
- 116230-30-9
7-bromonaphthalen-2-ol
| Conditions | Yield |
|---|---|
| With C33H36N4O5 In dichloromethane at -30℃; for 18h; Molecular sieve; stereoselective reaction; | 98% |
2-Bromo-7-hydroxynaphthalene Specification
The IUPAC name of 2-Naphthalenol,7-bromo- is 7-bromonaphthalen-2-ol. With the CAS registry number 116230-30-9, it is also named as 2-Bromo-7-hydroxynaphthalene. The product's categories are Organic Building Blocks; Oxygen Compounds; Phenols. In addition, its molecular formula is C10H7BrO and molecular weight is 223.07.
The other characteristics of 2-Naphthalenol,7-bromo- can be summarized as: (1)ACD/LogP: 3.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.48; (4)ACD/LogD (pH 7.4): 3.48; (5)ACD/BCF (pH 5.5): 261.84; (6)ACD/BCF (pH 7.4): 257.48; (7)ACD/KOC (pH 5.5): 1872.43; (8)ACD/KOC (pH 7.4): 1841.28; (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: 1.704; (14)Molar Refractivity: 53.66 cm3; (15)Molar Volume: 138.1 cm3; (16)Polarizability: 21.27×10-24cm3; (17)Surface Tension: 55.2 dyne/cm; (18)Density: 1.614 g/cm3; (19)Flash Point: 167.8 °C; (20)Enthalpy of Vaporization: 62.24 kJ/mol; (21)Boiling Point: 353.8 °C at 760 mmHg; (22)Vapour Pressure: 1.71E-05 mmHg at 25 °C; (23)Melting point: 133-138 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Brc2ccc1c(cc(O)cc1)c2
(2)InChI: InChI=1/C10H7BrO/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6,12H
(3)InChIKey: VWSBGGRCEQOTNU-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C10H7BrO/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6,12H
(5)Std. InChIKey: VWSBGGRCEQOTNU-UHFFFAOYSA-N
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