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Cas Database |
| Name |
3,5-Dibromo-4-hydroxybenzoic acid |
EINECS | 222-075-0 |
| CAS No. | 3337-62-0 | Density | 2.228 g/cm3 |
| PSA | 57.53000 | LogP | 2.61540 |
| Solubility | N/A | Melting Point |
271-274 ºC |
| Formula | C7H4 Br2 O3 | Boiling Point | 342 ºC at 760 mmHg |
| Molecular Weight | 295.915 | Flash Point | 160.6 ºC |
| Transport Information | N/A | 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; |
Article Data | 28 |
3,5-Dibromo-4-hydroxybenzoic acid Synthetic route
| 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 | 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 | Yield |
|---|---|
| With water; bromine |
| 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 | 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 | 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 | 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
- 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid
| Conditions | Yield |
|---|---|
| durch Verseifung; |
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: 19.99×10-24 cm3; (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.
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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
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