ChemicalBook--->CAS DataBase List--->16650-55-8

16650-55-8

16650-55-8 Structure

16650-55-8 Structure
IdentificationBack Directory
[Name]

4-BROMO-1-NAPHTALENECARBOXYLIC ACID
[CAS]

16650-55-8
[Synonyms]

4-Bromo-1-naphthoic
4-BROMO-1-NAPHTHOIC ACID
4-Bromo-1-naphthoic acid 98%
4-Bromo-1-naphthoic acid 97+%
4-BROMO-1-NAPHTALENECARBOXYLIC ACID
4-BROMONAPHTHALENE-1-CARBOXYLIC ACID
4-Bromo-1-naphthalenecarboxylic acid
1-Naphthalenecarboxylicacid, 4-bromo-
4-Bromo-1-Naphthalene-1-Carboxylic acid
1-Naphthalenecarboxylicacid, 4-bromo-, methyl ester
4-Bromonaphthalene-1-carboxylic acid, 1-Bromo-4-carboxynaphthalene
[Molecular Formula]

C11H7BrO2
[MDL Number]

MFCD00094221
[MOL File]

16650-55-8.mol
[Molecular Weight]

251.076
Chemical PropertiesBack Directory
[Melting point ]

198-200
[Boiling point ]

408.8±28.0 °C(Predicted)
[density ]

1.648±0.06 g/cm3(Predicted)
[storage temp. ]

Keep Cold
[form ]

Solid
[pka]

3.48±0.10(Predicted)
[color ]

White to Light yellow
[Water Solubility ]

Slightly soluble in water.
[InChI]

InChI=1S/C11H7BrO2/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H,(H,13,14)
[InChIKey]

FIJIPZQZVLCOMB-UHFFFAOYSA-N
[SMILES]

C1(C(O)=O)=C2C(C=CC=C2)=C(Br)C=C1
[CAS DataBase Reference]

16650-55-8
Safety DataBack Directory
[Hazard Codes ]

Xi,N,Xn
[Risk Statements ]

22-36-50/53
[Safety Statements ]

26-60-61
[Hazard Note ]

Harmful/Irritant/Keep Cold
[HS Code ]

2916399090
Hazard InformationBack Directory
[Uses]

It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs.
[Synthesis]

(1-BROMONAPHTHALEN-4-YL)METHANOL

56052-26-7

4-BROMO-1-NAPHTALENECARBOXYLIC ACID

16650-55-8

General procedure for the synthesis of 4-bromo-1-naphthalenecarboxylic acid from (4-bromonaphthalen-1-yl)methanol: A mixture of chromic anhydride (1.81 g, 18.1 mmol) and concentrated hydrochloric acid was added slowly and dropwise to a solution of (4-bromo-1-naphthalenyl)methanol (1.329 g, 6.027 mmol) in acetone (50 mL). A dilute sulfuric acid solution prepared by dissolving sulfuric acid (2 mL) in water (9 mL) was added dropwise to the reaction system under cooling conditions in an ice bath. After the dropwise addition, the reaction mixture was stirred at room temperature for 2 hours. Upon completion of the reaction, the acetone was removed by distillation under reduced pressure. The residue was dissolved in ethyl acetate, washed three times sequentially with water and dried with anhydrous magnesium sulfate. The organic solvent was removed by concentration under reduced pressure, and the resulting crude product was recrystallized with a solvent mixture of ethanol-water to give the target product 4-bromo-1-naphthalenecarboxylic acid. The product was a light brown crystal with a yield of 1.272 g, 84% yield, melting point 223-224 °C. 1H-NMR (CDCl3-DMSO-d6, 200 MHz) δ 7.60-7.69 (2H, m), 7.83 (1H, d, J = 7.8 Hz), 8.06 (1H, d, J = 8.2 Hz), 8.28-8.36 (1H , m), 8.99-9.08 (1H, m).IR (KBr, cm-1) 3100-2500, 1694, 1566, 1508, 1279, 1252, 1190, 903, 785, 762.Elemental analysis (C11H7BrO2) Calculated values: C, 52.62; H, 2.81.Measured values: C, 52.42; H, 2.87. H, 2.87.

[References]

[1] Patent: EP1362846, 2003, A1. Location in patent: Page/Page column 55-56
Spectrum DetailBack Directory
[Spectrum Detail]

4-BROMO-1-NAPHTALENECARBOXYLIC ACID(16650-55-8)1HNMR
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