CAS No.5773-80-8,6-Bromo-2-naphthoic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5773-80-8
Name:	6-Bromo-2-naphthoic acid
Article Data:	23

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

Synthetic route

: 33626-98-1
methyl 6-bromo-2-naphthoate

: 5773-80-8
6-bromo-2-naphthoic acid

Conditions

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%

: 15231-91-1
6-bromo-naphthalen-2-ol

: 64-19-7
acetic acid

: 5773-80-8
6-bromo-2-naphthoic acid

Conditions

Conditions	Yield
for 1.5h; Large scale;	96%

: Sodium; 6-bromo-naphthalene-2-carboxylate

: 5773-80-8
6-bromo-2-naphthoic acid

Conditions

Conditions	Yield
With hydrogenchloride In water at 50℃; for 1h; Concentration; Inert atmosphere;	95.5%

: 33626-98-1
methyl 6-bromo-2-naphthoate

A: 1592-38-7
2-Naphthalenemethanol

B: 5773-80-8
6-bromo-2-naphthoic acid

C: 100751-63-1
(6-bromo-2-naphthy)methanol

Conditions

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%

...Expand

: 1590-25-6
1-(6-bromonaphthalen-2-yl)ethanone

: 5773-80-8
6-bromo-2-naphthoic acid

Conditions

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%)

: 124-38-9
carbon dioxide

: 151600-02-1
6-bromo-2-naphthalenyl trifluoromethanesulfonate

: 5773-80-8
6-bromo-2-naphthoic acid

Conditions

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%

: 1590-25-6
1-(6-bromonaphthalen-2-yl)ethanone

A: 5773-80-8
6-bromo-2-naphthoic acid

B: 32405-50-8
1,1-bis(pyridinium)methane diiodide

Conditions

Conditions	Yield
With pyridine; water; iodine In methanol at 30℃; Kinetics; Mechanism; Thermodynamic data; other temperatures; ΔH(excit.);

1-<6-bromo-naphthyl-(2)>-ethanone-(1): 1-<6-bromo-naphthyl-(2)>-ethanone-(1)

: 5773-80-8
6-bromo-2-naphthoic acid

Conditions

Conditions	Yield
With alkaline aqueous sodium hypochlorite solution
With nitric acid

6-bromo-naphthonitrile-(2): 6-bromo-naphthonitrile-(2)

: 5773-80-8
6-bromo-2-naphthoic acid

: 580-13-2
2-bromonaphthalene

: 1590-25-6
1-(6-bromonaphthalen-2-yl)ethanone

: 75-36-5
acetyl chloride

: 5773-80-8
6-bromo-2-naphthoic acid

Conditions

Conditions	Yield
With hydrogenchloride; AlCl3 In hexane; nitrobenzene

...Expand

Raw Materials

75-36-5

580-13-2

Downstream Products

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Specification

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

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