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Cas Database |
| Name |
5-Bromo-2-chlorophenol |
EINECS | N/A |
| CAS No. | 183802-98-4 | Density | 1.788 g/cm3 |
| PSA | 20.23000 | LogP | 2.80810 |
| Solubility | N/A | Melting Point |
46-47 ºC |
| Formula | C6H4BrClO | Boiling Point | 234.9 ºC at 760 mmHg |
| Molecular Weight | 207.454 | Flash Point | 95.9 ºC |
| Transport Information | N/A | Appearance | Light yellow to White crystals |
| Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
2-Chloro-5-Bromophenol;3-Bromo-6-chlorophenol; |
Article Data | 11 |
5-Bromo-2-chlorophenol Synthetic route
- 16817-43-9
5-Bromo-2-chloroanisole
- 183802-98-4
5-bromo-2-chlorophenol
| Conditions | Yield |
|---|---|
| Stage #1: 5-Bromo-2-chloroanisole With boron tribromide In dichloromethane at 0 - 20℃; for 20.6667h; Stage #2: With water In dichloromethane at 0℃; for 0.5h; | 98% |
| Stage #1: 5-Bromo-2-chloroanisole With boron tribromide In dichloromethane at 0 - 20℃; for 14h; Stage #2: With potassium carbonate In water at 0℃; Stage #3: With hydrogenchloride In water | 96% |
| Stage #1: 5-Bromo-2-chloroanisole With boron tribromide In dichloromethane at 0 - 20℃; for 14h; Stage #2: With water; potassium carbonate In dichloromethane Stage #3: With hydrogenchloride In water | 96% |
| Stage #1: 5-Bromo-2-chloroanisole With boron tribromide In dichloromethane at 0 - 20℃; for 4h; Stage #2: With sodium hydroxide; water In dichloromethane Stage #3: With hydrogenchloride In water | 95% |
| With boron tribromide In dichloromethane at 0 - 20℃; for 7h; |
- 591-20-8
3-Bromophenol
A
- 13659-24-0
3-bromo-4-chlorophenol
B
- 183802-98-4
5-bromo-2-chlorophenol
C
- 863870-87-5
3 -bromo-2-chlorophenol
| Conditions | Yield |
|---|---|
| With N-chloro-succinimide; (R)-[1,1′-binaphthalene]-2,2′-diylbis-(diphenylphosphine sulfide) In chloroform-d1 at 20℃; for 2h; regioselective reaction; | A 72% B n/a C n/a |
| With N-chloro-succinimide; C24H20F12N4OS In chloroform-d1 at 20℃; for 3h; regioselective reaction; | A n/a B 48% C 14% |
| With 1,3-dichloro-5,5-dimethylhydantoin; diisopropylamine hydrochloride In toluene at 0℃; for 4h; Darkness; Overall yield = 57 %; regioselective reaction; |
| Conditions | Yield |
|---|---|
| With N-chloro-succinimide; 1-(3,5-bis(trifluoromethyl)phenyl)-3-((1S,2S)-2-(mesitylselanyl)-2,3-dihydro-1H-inden-1-yl)thiourea In chloroform-d1 at 20℃; for 12h; regioselective reaction; | A n/a B 60% |
| Conditions | Yield |
|---|---|
| With methanol at 180℃; |
- 60811-17-8
5-bromo-2-chloroaniline
- 183802-98-4
5-bromo-2-chlorophenol
| Conditions | Yield |
|---|---|
| With sulfuric acid Diazotization.Erhitzen der Diazoniumsalz-Loesung; |
- 876487-15-9
2,3,4-tribromo-6-chloro-phenol
- 71-43-2
benzene
A
- 108-86-1
bromobenzene
B
- 183802-98-4
5-bromo-2-chlorophenol
| Conditions | Yield |
|---|---|
| With aluminium trichloride |
- 7446-70-0
aluminium trichloride
- 876487-15-9
2,3,4-tribromo-6-chloro-phenol
- 71-43-2
benzene
A
- 108-86-1
bromobenzene
B
- 183802-98-4
5-bromo-2-chlorophenol
- 95-76-1
m,p-dichloroaniline
- 183802-98-4
5-bromo-2-chlorophenol
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: Diazotization.Behandlung der Diazoniumsalz-Loesung mit CuBr und HBr 2: methanol / 180 °C View Scheme |
| Conditions | Yield |
|---|---|
| With boron tribromide In dichloromethane |
- 183802-98-4
5-bromo-2-chlorophenol
- 52334-81-3
2-chloro-5-trifluoromethylpyridine
- 1020330-54-4
2-(5-bromo-2-chlorophenoxy)-5-(trifluoromethyl)pyridine
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide at 20 - 110℃; for 12h; | 100% |
5-Bromo-2-chlorophenol Specification
The 5-Bromo-2-chlorophenol is an organic compound with the formula C6H4BrClO. The IUPAC name of this chemical is 5-bromo-2-chlorophenol. With the CAS registry number 183802-98-4, it is also named as 2-Chloro-5-Bromophenol. The product's categories are Phenol & Thiophenol & Mercaptan; Bromine Compounds; Chlorine Compounds; Phenols. Besides, it is a light yellow to white crystals, which should be stored in closed cool and ventilated place.
Physical properties about 5-Bromo-2-chlorophenol are: (1)ACD/LogP: 3.13; (2)#H bond acceptors: 1; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 9.23 Å2; (6)Index of Refraction: 1.619; (7)Molar Refractivity: 40.71 cm3; (8)Molar Volume: 115.9 cm3; (9)Polarizability: 16.14×10-24cm3; (10)Surface Tension: 50.1 dyne/cm; (11)Density: 1.788 g/cm3; (12)Flash Point: 95.9 °C; (13)Enthalpy of Vaporization: 49.08 kJ/mol; (14)Boiling Point: 234.9 °C at 760 mmHg; (15)Vapour Pressure: 0.0337 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(O)cc(Br)cc1
(2)InChI: InChI=1/C6H4BrClO/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
(3)InChIKey: UEVFFMZHGNYDKM-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C6H4BrClO/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
(5)Std. InChIKey: UEVFFMZHGNYDKM-UHFFFAOYSA-N
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