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3964-56-5

Basic Information
CAS No.: 3964-56-5
Name: 4-Bromo-2-chlorophenol
Article Data: 52
Molecular Structure:
Molecular Structure of 3964-56-5 (4-Bromo-2-chlorophenol)
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: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39-24/25
Transport Information: UN 3077 9/PG 3
PSA: 20.23000
LogP: 2.80810
Synthetic route
95-57-8

2-monochlorophenol

3964-56-5

4-bromo-2-chlorophenol

Conditions
ConditionsYield
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%
106-41-2

4-bromo-phenol

3964-56-5

4-bromo-2-chlorophenol

Conditions
ConditionsYield
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.);

(4-bromo-2-chloro-phenoxy)-tert-butyl-dimethyl-silane

3964-56-5

4-bromo-2-chlorophenol

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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;
4526-56-1

2,4-dibromo-6-chlorophenol

3964-56-5

4-bromo-2-chlorophenol

Conditions
ConditionsYield
With acetic acid; zinc
50638-47-6

4-bromo-2-chloro-1-methoxybenzene

3964-56-5

4-bromo-2-chlorophenol

Conditions
ConditionsYield
With hydrogen bromide; acetic acid
704892-51-3

6-bromo-2-chloro-3-hydroxy-benzaldehyde

3964-56-5

4-bromo-2-chlorophenol

Conditions
ConditionsYield
With potassium hydroxide
95-57-8

2-monochlorophenol

A

3964-56-5

4-bromo-2-chlorophenol

B

2040-88-2

2-bromo-6-chlorophenol

Conditions
ConditionsYield
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;
4526-56-1

2,4-dibromo-6-chlorophenol

64-19-7

acetic acid

zinc dust

zinc dust

3964-56-5

4-bromo-2-chlorophenol

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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