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CAS No.: | 5773-80-8 |
---|---|
Name: | 6-Bromo-2-naphthoic acid |
Article Data: | 23 |
Molecular Structure: | |
Formula: | C11H7BrO2 |
Molecular Weight: | 251.079 |
Synonyms: | 2-Naphthoicacid, 6-bromo- (6CI,7CI,8CI);(6-Bromonaphthalen-2-yl)acetic acid;6-Bromo-2-naphthalenecarboxylic acid; |
EINECS: | 611-572-1 |
Density: | 1.648 g/cm3 |
Melting Point: | 294-295 °C |
Boiling Point: | 387.3 °C at 760 mmHg |
Flash Point: | 188 °C |
Solubility: | Insoluble in water. |
Appearance: | pale brown solid |
Hazard Symbols: | Xn; Xi |
Risk Codes: | 36/37/38-20/21/22 |
Safety: | 26-36/37/39 |
PSA: | 37.30000 |
LogP: | 3.30050 |
methyl 6-bromo-2-naphthoate
6-bromo-2-naphthoic acid
Conditions | Yield |
---|---|
With water; lithium hydroxide In tetrahydrofuran at 20℃; for 5h; | 96% |
With lithium hydroxide In tetrahydrofuran; water at 20℃; for 5h; | 96% |
Stage #1: methyl 6-bromo-2-naphthoate With lithium hydroxide monohydrate In tetrahydrofuran; water Stage #2: With hydrogenchloride In tetrahydrofuran; water pH=3; | 92% |
Conditions | Yield |
---|---|
for 1.5h; Large scale; | 96% |
6-bromo-2-naphthoic acid
Conditions | Yield |
---|---|
With hydrogenchloride In water at 50℃; for 1h; Concentration; Inert atmosphere; | 95.5% |
methyl 6-bromo-2-naphthoate
A
2-Naphthalenemethanol
B
6-bromo-2-naphthoic acid
C
(6-bromo-2-naphthy)methanol
Conditions | Yield |
---|---|
With [RuCl2(N-heterocyclic carbene)(bis[2-(diphenylphosphino)ethyl]amine)]; potassium tert-butylate; hydrogen In 2-methyltetrahydrofuran at 45℃; under 3000.3 Torr; for 4h; Catalytic behavior; Pressure; Temperature; Autoclave; | A n/a B n/a C 82% |
Conditions | Yield |
---|---|
With sodium hypochlorite; sodium hydroxide In 1,4-dioxane; water at 70℃; for 4h; | 70% |
With sodium hydroxide; sodium hypochlorite In 1,4-dioxane; water | 3.54 g (88%) |
With sodium hydroxide; sodium hypochlorite In 1,4-dioxane; sulfuric acid; water | 3.54 g (88%) |
carbon dioxide
6-bromo-2-naphthalenyl trifluoromethanesulfonate
6-bromo-2-naphthoic acid
Conditions | Yield |
---|---|
With (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; palladium diacetate; caesium carbonate; N-ethyl-N,N-diisopropylamine; DavePhos In dimethyl sulfoxide at 20℃; for 36h; Irradiation; Green chemistry; chemoselective reaction; | 65% |
1-(6-bromonaphthalen-2-yl)ethanone
A
6-bromo-2-naphthoic acid
B
1,1-bis(pyridinium)methane diiodide
Conditions | Yield |
---|---|
With pyridine; water; iodine In methanol at 30℃; Kinetics; Mechanism; Thermodynamic data; other temperatures; ΔH(excit.); |
6-bromo-2-naphthoic acid
Conditions | Yield |
---|---|
With alkaline aqueous sodium hypochlorite solution | |
With nitric acid |
6-bromo-2-naphthoic acid
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The CAS registry number of 6-Bromo-2-naphthoic acid is 5773-80-8. The IUPAC name is 6-bromonaphthalene-2-carboxylic acid. In addition, the molecular formula is C11H7BrO2 and the molecular weight is 251.08. It is also called 2-naphthalenecarboxylic acid, 6-bromo-. What's more, it is a kind of pale brown solid and belongs to the classes of Blocks; Bromides; Carboxes; Naphthalene Derivatives; Organic Acids; Naphthalene Series. Besides, it should be stored in sealed container, and put in a cool and dry place. It is used as a pharmaceutical intermediate.
Physical properties about 6-Bromo-2-naphthoic acid are: (1)ACD/LogP: 3.90; (2)ACD/LogD (pH 5.5): 2.45; (3)ACD/LogD (pH 7.4): 0.96; (4)ACD/BCF (pH 5.5): 19.22; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 111.94; (7)ACD/KOC (pH 7.4): 3.65; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.697; (13)Molar Refractivity: 58.71 cm3; (14)Molar Volume: 152.2 cm3; (15)Polarizability: 23.27 ×10-24cm3; (16)Surface Tension: 59.9 dyne/cm; (17)Density: 1.648 g/cm3; (18)Flash Point: 188 °C; (19)Enthalpy of Vaporization: 67.12 kJ/mol; (20)Boiling Point: 387.3 °C at 760 mmHg; (21)Vapour Pressure: 1.08E-06 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc2c(c1)ccc(Br)c2
(2)InChI: InChI=1/C11H7BrO2/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6H,(H,13,14)
(3)InChIKey: NPMCAVBMOTZUPD-UHFFFAOYAV