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Basic Information
CAS No.: 116230-30-9
Name: 2-Bromo-7-hydroxynaphthalene
Article Data: 16
Molecular Structure:
Molecular Structure of 116230-30-9 (2-Bromo-7-hydroxynaphthalene)
Formula: C10H7BrO
Molecular Weight: 223.069
Synonyms: 7-Bromo-2-naphthalenol;7-Bromonaphth-2-ol;
EINECS: 628-835-1
Density: 1.614 g/cm3
Melting Point: 133-138 °C
Boiling Point: 353.8 °C at 760 mmHg
Flash Point: 167.8 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:;
">  Xi:;
Safety: 26-39
PSA: 20.23000
LogP: 3.30790
Synthetic route
582-17-2

2,7-Dihydroxynaphthalene

116230-30-9

7-bromonaphthalen-2-ol

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With sodium amalgam
861072-57-3

7-Hydrazino-[2]naphthol

116230-30-9

7-bromonaphthalen-2-ol

Conditions
ConditionsYield
With hydrogen bromide; copper(ll) bromide
861072-57-3

7-Hydrazino-[2]naphthol

diluted hydrobromic acid

diluted hydrobromic acid

copper (II)-bromide

copper (II)-bromide

116230-30-9

7-bromonaphthalen-2-ol

709667-62-9

3,7-dibromo-[2]naphthol

sodium amalgam

sodium amalgam

116230-30-9

7-bromonaphthalen-2-ol

116230-30-9

7-bromonaphthalen-2-ol

C10H6Br2O

Conditions
ConditionsYield
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
ConditionsYield
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℃;
116230-30-9

7-bromonaphthalen-2-ol

75-16-1

methylmagnesium bromide

26593-50-0

7-methylnaphthalen-2-ol

Conditions
ConditionsYield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In tetrahydrofuran at 90℃; Inert atmosphere;99%

(E)-2-oxo-3-(2,2,2-trifluoroethylidene)indoline-1-carboxylic acid tert-butyl ester

116230-30-9

7-bromonaphthalen-2-ol

tert-butyl (2-((1S,2R)-9-bromo-3-oxo-1-(trifluoromethyl)-2,3-dihydro-1H-benzo[f]chromen-2-yl)phenyl)carbamate

Conditions
ConditionsYield
With C33H36N4O5 In dichloromethane at -30℃; for 18h; Molecular sieve; stereoselective reaction;98%
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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