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| CAS No.: | 3964-56-5 |
|---|---|
| Name: | 4-Bromo-2-chlorophenol |
| Article Data: | 52 |
| Molecular Structure: | |
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|
|
| Formula: | C6H4BrClO |
| Molecular Weight: | 207.454 |
| Synonyms: | 2-Chloro-4-bromophenol;4-Bromo-2-chlorophenol; |
| EINECS: | 223-572-5 |
| Density: | 1.788 g/cm3 |
| Melting Point: | 47-49 °C(lit.) |
| Boiling Point: | 236.6 °C at 760 mmHg |
| Flash Point: | 96.9 °C |
| Solubility: | Practically insoluble in water |
| Appearance: | white to off-white low melting mass or crystalline |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39-24/25 |
| Transport Information: | UN 3077 9/PG 3 |
| PSA: | 20.23000 |
| LogP: | 2.80810 |
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| Conditions | Yield |
|---|---|
| With benzyltriphenylphosphonium peroxodisulfate; potassium bromide In acetonitrile for 7h; Heating; | 100% |
| With sulfuric acid; C20H22Br2N2O5V; dihydrogen peroxide In methanol; water at 20℃; for 1.33333h; Catalytic behavior; | 100% |
| With N-benzyl-N,N-dimethyl anilinium peroxodisulfate; potassium bromide In acetonitrile for 1.5h; Reflux; regioselective reaction; | 97% |
| Conditions | Yield |
|---|---|
| With 1,3-dichloro-5,5-dimethylhydantoin; diisopropylamine hydrochloride In toluene at 0℃; for 4h; Darkness; regioselective reaction; | 91% |
| With potassium hydrogensulfate; potassium chloride; isoquinolinium dichromate In water at 20℃; Catalytic behavior; Reagent/catalyst; Temperature; Sonication; Green chemistry; regioselective reaction; | 69% |
| With N-chloro-3-methyl-2,6-diphenylpiperidin-4-one; hydrogen cation In ethanol; water at 30℃; Product distribution; Thermodynamic data; ΔH(excit.), ΔS(excit.); |
- 3964-56-5
4-bromo-2-chlorophenol
| Conditions | Yield |
|---|---|
| With tin(ll) chloride In ethanol at 20℃; for 5h; | 87% |
- 95-57-8
2-monochlorophenol
- 2446-83-5
di-isopropyl azodicarboxylate
A
- 19740-72-8
bis(1-methylethyl) 1,2-hydrazinedicarboxylate
B
- 3964-56-5
4-bromo-2-chlorophenol
| Conditions | Yield |
|---|---|
| With ZrBr4 In dichloromethane at 20℃; for 8h; | A n/a B 76% |
- 95-57-8
2-monochlorophenol
A
- 3964-56-5
4-bromo-2-chlorophenol
B
- 2040-88-2
2-bromo-6-chlorophenol
C
- 4526-56-1
2,4-dibromo-6-chlorophenol
| Conditions | Yield |
|---|---|
| With N-Bromosuccinimide; thiourea In acetonitrile at 20℃; for 2h; regioselective reaction; | A 75% B 6 %Chromat. C 6 %Chromat. |
| With 4-morpholineethanesulfonic acid; VBrPO(AnI) bromoperoxidase; dihydrogen peroxide; sodium bromide In water; tert-butyl alcohol at 23℃; pH=6.2; Overall yield = 39 %; | A n/a B n/a C 26% |
| With tetrafluoroboric acid diethyl ether; N-Bromosuccinimide In acetonitrile for 7.5h; Ambient temperature; Yield given. Yields of byproduct given; |
| Conditions | Yield |
|---|---|
| With acetic acid; zinc |
- 50638-47-6
4-bromo-2-chloro-1-methoxybenzene
- 3964-56-5
4-bromo-2-chlorophenol
| Conditions | Yield |
|---|---|
| With hydrogen bromide; acetic acid |
- 704892-51-3
6-bromo-2-chloro-3-hydroxy-benzaldehyde
- 3964-56-5
4-bromo-2-chlorophenol
| Conditions | Yield |
|---|---|
| With potassium hydroxide |
| Conditions | Yield |
|---|---|
| With Amberlyst-A26 tribromide In dichloromethane for 24h; Ambient temperature; Title compound not separated from byproducts; | A 76 % Chromat. B 20 % Chromat. |
| With oxone; ammonium bromide In acetonitrile at 20℃; for 5h; | |
| Stage #1: 2-monochlorophenol With β‐cyclodextrin for 12h; Stage #2: With bromine In methanol; tetrachloromethane at 20℃; for 2h; Further stages.; | |
| With sulfuric acid; dihydrogen peroxide; cetyltrimethylammonim bromide; sodium dodecyl-sulfate; sodium bromide for 2h; Micellar solution; |
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Specification
4-Bromo-2-chlorophenol, with the CAS NO.3964-56-5, has the Synonyms of AKOS BBB/367; 2-CHLORO-4-BROMO PHENOL; 4-Bromo-2-Chloro Phenol 2-Chloro-4-Bromo Phenol; 4-Bromo-2-chlorophenol,98%; 4-Bromo-2-chlorophenol,99%; 4-BroMo-2-chlorophenol, 99% 25GR; 4-BroMo-2-chlorophenol, 99% 5GR. It is a white to off-white low melting mass or crystalline and belongs to the Product Categories of Aromatic Phenols; Phenol&Thiophenol&Mercaptan; Bromine Compounds; Chlorine Compounds; Phenols; Organic Building Blocks; Oxygen Compounds. 4-Bromo-2-chlorophenol can be used as intermediates of pesticide profenofos or other organic synthesis.
Physical properties about 4-Bromo-2-chlorophenol are: (1)ACD/LogP: 3.372; (2)ACD/LogD (pH 5.5): 3.37; (3)ACD/LogD (pH 7.4): 3.26; (4)ACD/BCF (pH 5.5): 214.21; (5)ACD/BCF (pH 7.4): 165.41; (6)ACD/KOC (pH 5.5): 1620.14; (7)ACD/KOC (pH 7.4): 1251.08; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.619; (12)Molar Refractivity: 40.72 cm3; (13)Molar Volume: 115.999 cm3; (14)Polarizability: 16.143 10-24cm3; (15)Surface Tension: 50.1259994506836 dyne/cm; (16)Density: 1.788 g/cm3; (17)Flash Point: 96.89 °C; (18)Enthalpy of Vaporization: 49.261 kJ/mol; (19)Boiling Point: 236.596 °C at 760 mmHg; (20)Vapour Pressure: 0.0309999994933605 mmHg at 25°C
When you are using this chemical, please be cautious about it as the following:
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. Wear suitable gloves and eye/face protection;
3. Avoid contact with skin and eyes;
You can still convert the following datas into molecular structure:
(1)InChI=1S/C6H4BrClO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H;
(2)InChIKey=VIBJPUXLAKVICD-UHFFFAOYSA-N;
(3)Smilesc1(c(ccc(c1)Br)O)Cl