3,5-Dibromo-4-hydroxybenzoic acid supplier

Name
3,5-Dibromo-4-hydroxybenzoic acid
EINECS 222-075-0
CAS No. 3337-62-0
Article Data28
CAS DataBase
Density 2.228 g/cm³
Solubility
Melting Point 271-274 ºC
Formula C₇H₄Br₂ O₃
Boiling Point 342 ºC at 760 mmHg
Molecular Weight 295.915
Flash Point 160.6 ºC
Transport Information
Appearance white fine crystalline powder
Safety S24/25
Risk Codes R36/37/38
Molecular Structure
Hazard Symbols
Synonyms 3,5-Dibromo-4-hydroxybenzoicacid;Bromoxynil acid;Bromoxynilbenzoic acid;NSC 21184;
PSA 57.53000
LogP 2.61540

Synthetic route

: 99-96-7
4-hydroxy-benzoic acid

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

Conditions

Conditions	Yield
With hydrogen bromide; dihydrogen peroxide In 1,2-dichloro-ethane at 45℃; for 3h;	97%
With bromine; calcium bromide In water at 25℃; for 0.25h; regioselective reaction;	94%
With bromine In water at 20℃; for 0.166667h;	89%

: 41727-47-3
methyl 3,5-dibromo-4-hydroxybenzoate

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

Conditions

Conditions	Yield
With water; sodium hydroxide at 60℃; for 4h;	94%
With sodium hydroxide

: 14348-41-5
3-bromo-4-hydroxy-benzoic acid

A: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

B: 118-79-6
2,4,6-tribromophenol

Conditions

Conditions	Yield
With water; bromine

: 4073-35-2
3,5-dibromo-4-methoxybenzoic acid

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

Conditions

Conditions	Yield
With hydrogen iodide

: 67201-41-6
acetic acid-(2,6-dibromo-4-methyl-phenyl ester)

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

Conditions

Conditions	Yield
With chromic acid; acetic acid Hydrolyse des Reaktionsproduktes;

: 35852-57-4
2,6-dibromo-4-(trifluoromethyl)phenol

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

Conditions

Conditions	Yield
With sodium hydroxide

: 99-96-7
4-hydroxy-benzoic acid

A: 14348-41-5
3-bromo-4-hydroxy-benzoic acid

B: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

Conditions

Conditions	Yield
With bromine; potassium bromide In water at 25℃; Rate constant; Product distribution; var. pH;
With N-Bromosuccinimide; 1-n-butyl-3-methylimidazolim bromide for 0.05h; Ionic liquid;
With [VO((R,R)-N,N-disalicylidenecyclohexane-1,2-diamine-2H)(methanol)]ClO4; dihydrogen peroxide; potassium bromide In acetonitrile at 60 - 80℃; for 15h; High-pressure reactor;
Stage #1: 4-hydroxy-benzoic acid In acetonitrile at 20℃; for 0.0833333h; Stage #2: With N-Bromosuccinimide In acetonitrile at 20℃; for 48h;

: 104541-40-4
3,3-bis-(4-acetoxy-3,5-dibromo-phenyl)-phthalide

: 64-19-7
acetic acid

chromic acid: chromic acid

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

Conditions

Conditions	Yield
durch Verseifung;

...Expand

: 64-19-7
acetic acid

: 99-96-7
4-hydroxy-benzoic acid

bromine (2 mol ): bromine (2 mol )

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

...Expand

: 7553-56-2
iodine

: 64-19-7
acetic acid

: 99-96-7
4-hydroxy-benzoic acid

bromine (2 mol ): bromine (2 mol )

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

...Expand

: 99-96-7
4-hydroxy-benzoic acid

bromine vapour (2 mol ): bromine vapour (2 mol )

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

: 14348-41-5
3-bromo-4-hydroxy-benzoic acid

A: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

B 2.4.6-tribromo-phenyl: 2.4.6-tribromo-phenyl

Conditions

Conditions	Yield
bei Bromierung;

3.5-dibromo-4-oxy-benzaldehyde: 3.5-dibromo-4-oxy-benzaldehyde

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

Conditions

Conditions	Yield
With potassium hydroxide man gibt waessr. KMnO4-Loesung hinzu;

3.5-dibromo-anisacidic sodium: 3.5-dibromo-anisacidic sodium

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

Conditions

Conditions	Yield
With calcium oxide bei der Destillation;

: 35852-57-4
2,6-dibromo-4-(trifluoromethyl)phenol

aqueous NaOH: aqueous NaOH

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

: 574706-24-4
4,4'-diacetoxy-3,5,3',5'-tetrabromo-biphenyl

: 64-19-7
acetic acid

CrO3: CrO3

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

Conditions

Conditions	Yield
nachfolgend Hydrolyse;

...Expand

: 3,5-dibromo-4-methoxy-benzoic acid ; sodium salt

CaO: CaO

A: 22812-61-9
methyl 3,5-dibromo-4-methoxybenzoate

B: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

...Expand

: 7647-01-0
hydrogenchloride

: 1-(4-acetoxy-3,5-dibromo-phenyl)-propan-1-one

: 110-46-3
isopentyl nitrite

A: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

B 2-hydroxyimino-1-<3.5-dibromo-4-hydroxy-phenyl>-propanone-(1): 2-hydroxyimino-1-<3.5-dibromo-4-hydroxy-phenyl>-propanone-(1)

Conditions

Conditions	Yield
at 60 - 70℃;

...Expand

: 99-76-3
methyl 4-hydroxylbenzoate

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: acetic acid; bromine 2: aq. NaOH solution View Scheme

: 455-14-1
4-trifluoromethylphenylamine

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: ueber die Diazonium-Verbindung 2: water; bromine 3: aq. NaOH solution View Scheme

: 402-45-9
4-hydroxybenzotrifluoride

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: water; bromine 2: aq. NaOH solution View Scheme

: 402-54-0
p-nitrobenzotrifluoride

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: tin (II)-chloride; aq.-ethanolic hydrochloric acid 2: ueber die Diazonium-Verbindung 3: water; bromine 4: aq. NaOH solution View Scheme

: 14505-17-0
p-nitrobenzylidyne tribromide

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: SbF3 / 100 °C 2: tin (II)-chloride; aq.-ethanolic hydrochloric acid 3: ueber die Diazonium-Verbindung 4: water; bromine 5: aq. NaOH solution View Scheme

: 619-75-0
1-dibromomethyl-4-nitro-benzene

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: aqueous NaOBr solution 2: SbF3 / 100 °C 3: tin (II)-chloride; aq.-ethanolic hydrochloric acid 4: ueber die Diazonium-Verbindung 5: water; bromine 6: aq. NaOH solution View Scheme

: 3037-56-7
3,5-dibromo-4-hydroxybenzamide

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

Conditions

Conditions	Yield
With amidase from microbacterium imperiale CBS 498-74; water at 35℃; pH=5.5; Temperature; pH-value; Enzymatic reaction;

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

: 108-24-7
acetic anhydride

: 72415-59-9
4-acetoxy-3,5-dibromobenzoic acid

Conditions

Conditions	Yield
With sulfuric acid In dichloromethane at 35℃; for 5h;	100%

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

: 77823-55-3
3,5-dibromo-4-hydroxy-benzoyl chloride

Conditions

Conditions	Yield
With thionyl chloride In N,N-dimethyl-formamide for 2h; Ambient temperature;	96%
With thionyl chloride
With thionyl chloride for 6h; Heating / reflux;

: 67-56-1
methanol

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

: 41727-47-3
methyl 3,5-dibromo-4-hydroxybenzoate

Conditions

Conditions	Yield
With acetyl chloride for 18h; Ambient temperature;	95%
With sulfuric acid

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

: 608-33-3
2,6-dibromophenol

Conditions

Conditions	Yield
With quinoline; copper(I) oxide at 220℃; for 6h; Autoclave;	95%
With water at 165℃;
With sodium hydroxide at 165℃;

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

: 1400881-33-5
2,3,5,6-tetrabromo-1,4-benzoquinone oxime

Conditions

Conditions	Yield
With sodium nitrite In acetic acid at 20℃; for 4h;	95%

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

: 5-(2,5-dimethylphenoxy)-2,2-dimethylpentan-1-amine

: 3,5-dibromo-N-(5-(2,5-dimethylphenoxy)-2,2-dimethylpentyl)-4-hydroxybenzamide

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 20℃; for 12h;	54.6%
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 20℃; for 12h;	51.3%

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

: 71-36-3
butan-1-ol

: 75254-69-2
butyl 3,5-di-bromo-4-hydroxybenzoate

Conditions

Conditions	Yield
With sulfuric acid Fischer-Speier Esterification; Reflux;	53%

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

: 1400881-30-2
2,3,6-tribromo-4-hydroxybenzoic acid

Conditions

Conditions	Yield
With bromine In sulfuric acid at 20 - 45℃;	35%

: 1112193-37-9
2,3-Dihydro-1H-4-oxa-1,5-diaza-naphthalene

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

: 1198153-12-6
(3,5-dibromo-4-hydroxy-phenyl)-(2,3-dihydro-pyrido[2,3-b][1,4]oxazin-1-yl)-methanone

Conditions

Conditions	Yield
Stage #1: 3,5-dibromo-4-hydroxybenzoic acid With thionyl chloride In ISOPROPYLAMIDE at -5℃; for 0.5h; Stage #2: 2,3-Dihydro-1H-4-oxa-1,5-diaza-naphthalene In ISOPROPYLAMIDE at -5 - 20℃; for 15.3333h;	31%

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

: 95-55-6
2-amino-phenol

: 1004983-96-3
2-(3′,5′-dibromo-4′-hydroxyphenyl)-1,3-benzoxazole

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In xylene for 18h; Heating;	17%

: 1217428-98-2
ethyl 2-oximinooxamate

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

: 1191254-12-2
Ethyl 5-(3,5-dibromo-4-hydroxyphenyl)-1,2,4-oxadiazole-3-carboxylate

Conditions

Conditions	Yield
With pyridine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride at 20 - 90℃;	12%
With pyridine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride at 20 - 90℃; for 7h;	12%

: 110-89-4
piperidine

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

: 608-33-3
2,6-dibromophenol

Conditions

Conditions	Yield
at 150 - 165℃;

: 91-22-5
quinoline

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

: 608-33-3
2,6-dibromophenol

Conditions

Conditions	Yield
at 190 - 200℃;

: 64-17-5
ethanol

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

: 55771-81-8
3,5-dibromo-4-hydroxy-benzoic acid ethyl ester

Conditions

Conditions	Yield
With mineral acid

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

: 149-91-7
3,4,5-trihydroxybenzoic acid

Conditions

Conditions	Yield
With barium dihydroxide; water at 175℃; im Kupferkessel;
With potassium hydroxide; copper(I) sulfate; water; copper(II) sulfate at 150℃;

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

: 4073-35-2
3,5-dibromo-4-methoxybenzoic acid

Conditions

Conditions	Yield
durch Methylierung;

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

: 2316-50-9
2-bromo-4,6-dinitrophenol

Conditions

Conditions	Yield
bei der Nitrierung;

3,5-Dibromo-4-hydroxybenzoic acid Specification

The Benzoic acid,3,5-dibromo-4-hydroxy-, with the cas registry number 3337-62-0, is a kind of white fine crystalline powder. And its systematic name and IUPAC name are the same which is 3,5-dibromo-4-hydroxybenzoic acid. Besides, its product categories are various, including aromatic carboxylic acids, amides, anilides, anhydrides & salts; benzoic acid; organic acids; acids & esters; bromine compounds; phenols.

The characteristics of this chemical are as follows: (1)ACD/LogP: 3.44; (2)ACD/LogD (pH 5.5): 1.51; (3)ACD/LogD (pH 7.4): -0.52; (4)ACD/BCF (pH 5.5): 2.86; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 20.9; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 35.53; (12)Index of Refraction: 1.684; (13)Molar Refractivity: 50.44 cm³; (14)Molar Volume: 132.7 cm³; (15)Polarizability: 19.99×10^-24cm³; (16)Surface Tension: 71 dyne/cm; (17)Density: 2.228 g/cm³; (18)Flash Point: 160.6 °C; (19)Enthalpy of Vaporization: 61.82 kJ/mol; (20)Boiling Point: 342 °C at 760 mmHg; (21)Vapour Pressure: 2.98E-05 mmHg at 25°C; (22)Exact Mass: 295.850673; (23)MonoIsotopic Mass: 293.852719; (24)Topological Polar Surface Area: 57.5; (25)Heavy Atom Count: 12; (26)Formal Charge: 0; (27)Complexity: 174.

The use of this chemical is as below: methanol could react with Benzoic acid,3,5-dibromo-4-hydroxy- to produce 3,5-dibromo-4-hydroxy-benzoic acid methyl ester, with the following condition: reagent: concentrated sulfuric acid.

When you are dealing with this chemical, you should be very careful and then take some measures to protect yourself. For being a kind of irritant chemical, it is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. Then it is corrosive which may destroy living tissue on contact. Therefore, you should take the following instructions. Wear suitable gloves and eye/face protection, and avoid contacting with skin and eyes. If in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Additionally, the following datas could be converted into the molecular structure:
(1)Canonical SMILES: C1=C(C=C(C(=C1Br)O)Br)C(=O)O
(2)InChI: InChI=1S/C7H4Br2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)
(3)InChIKey: PHWAJJWKNLWZGJ-UHFFFAOYSA-N

Product Name

3,5-Dibromo-4-hydroxybenzoic acid

Synthetic route

3,5-Dibromo-4-hydroxybenzoic acid Specification

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