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| CAS No.: | 56961-77-4 |
|---|---|
| Name: | 1-Bromo-2,3-dichlorobenzene |
| Molecular Structure: | |
|
|
|
| Formula: | C6H3BrCl2 |
| Molecular Weight: | 225.9 |
| Synonyms: | 2,3-Dichlorobromobenzene;2,3-Dichloro-1-bromobenzene; |
| EINECS: | 260-476-2 |
| Density: | 1.744 g/cm3 |
| Melting Point: | 58-61 °C(lit.) |
| Boiling Point: | 241.477 °C at 760 mmHg |
| Flash Point: | 108.7 °C |
| Solubility: | insoluble in water |
| Appearance: | light yellow crystalline flakes |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39-28A |
| PSA: | 0.00000 |
| LogP: | 3.75590 |
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2,3-dichloroaniline
- 56961-77-4
1-bromo-2,3-dichlorobenzene
| Conditions | Yield |
|---|---|
| With hydrogen bromide; sodium nitrite; copper In water at 35 - 65℃; Product distribution / selectivity; Sandmeyer Reaction; | 87.7% |
| With hydrogen bromide; sodium bromide; sodium nitrite; copper(I) bromide In water at 60 - 65℃; for 2.5h; Product distribution / selectivity; Sandmeyer Reaction; | 84% |
| With hydrogen bromide; sodium bromide; sodium nitrite; copper(II) sulfate In water at 45 - 65℃; Product distribution / selectivity; Sandmeyer Reaction; | 83% |
| With hydrogen bromide; sodium nitrite; copper(I) bromide In water at 45 - 65℃; Product distribution / selectivity; Sandmeyer Reaction; | 80% |
- 56978-48-4
4-bromo-2,3-dichloro-phenylamine
- 56961-77-4
1-bromo-2,3-dichlorobenzene
- 22459-81-0
N-(4-bromo-3-chlorophenyl)acetamide
- 56961-77-4
1-bromo-2,3-dichlorobenzene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: glacial acetic acid / durch Chlorierung 2: sulfuric acid; alcohol View Scheme |
- 113571-16-7
4-Bromo-2,3-dichloroacetanilide
- 56961-77-4
1-bromo-2,3-dichlorobenzene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: sulfuric acid; alcohol View Scheme |
| Conditions | Yield |
|---|---|
| With bis(dibenzylideneacetone)-palladium(0); sodium t-butanolate In 1,4-dioxane at 80℃; for 9h; Temperature; Inert atmosphere; | 94.5% |
- 56961-77-4
1-bromo-2,3-dichlorobenzene
- 57260-71-6
1-t-Butoxycarbonylpiperazine
| Conditions | Yield |
|---|---|
| With tris-(dibenzylideneacetone)dipalladium(0); potassium carbonate; XPhos In acetonitrile at 100℃; for 6h; Inert atmosphere; | 91.1% |
| Stage #1: 1-bromo-2,3-dichlorobenzene; 1-t-Butoxycarbonylpiperazine With caesium carbonate In 1-methyl-pyrrolidin-2-one Heating; Stage #2: With tris(dibenzylideneacetone)dipalladium (0); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl In 1-methyl-pyrrolidin-2-one at 70 - 110℃; for 4h; | 80% |
- 56961-77-4
1-bromo-2,3-dichlorobenzene
| Conditions | Yield |
|---|---|
| With tris-(dibenzylideneacetone)dipalladium(0); sodium butanolate; tri tert-butylphosphoniumtetrafluoroborate In toluene for 3h; Reflux; | 90% |
| With dichloro bis((p-dimethylaminophenyl)-ϖ-di-tert-butylphosphine)palladium(II); potassium tert-butylate In o-xylene at 90℃; for 2.5h; | |
| With sodium t-butanolate In 5,5-dimethyl-1,3-cyclohexadiene at 90℃; for 2h; Inert atmosphere; | 61.8g |
| With sodium t-butanolate In 5,5-dimethyl-1,3-cyclohexadiene at 90℃; for 2h; Inert atmosphere; | 61.8 g |
| With bis(di-tert-butyl(4-dimethylaminophenyl)phosphine)dichloropalladium(II); sodium t-butanolate In 5,5-dimethyl-1,3-cyclohexadiene at 90℃; for 2h; Inert atmosphere; | 61.8 g |
| Conditions | Yield |
|---|---|
| With tris-(dibenzylideneacetone)dipalladium(0); sodium butanolate; tri tert-butylphosphoniumtetrafluoroborate In toluene for 3h; Reflux; | 90% |
| Conditions | Yield |
|---|---|
| With 2-(benzothiophen-2-yl)pyridine; sodium t-butanolate In 5,5-dimethyl-1,3-cyclohexadiene at 180℃; for 12h; | 89% |
- 56961-77-4
1-bromo-2,3-dichlorobenzene
- 65847-34-9
4-(1-phenyl-1H-benzoimidazol-2-yl)-aniline
| Conditions | Yield |
|---|---|
| With 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; bis(dibenzylideneacetone)-palladium(0); sodium t-butanolate In toluene at 110℃; for 1h; Inert atmosphere; | 88% |
| With 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; bis(dibenzylideneacetone)-palladium(0); sodium t-butanolate In toluene at 110℃; for 1h; Inert atmosphere; | 88% |
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Chemistry
Molecular Structure of 1-Bromo-2,3-dichlorobenzene (CAS NO.56961-77-4):
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IUPAC Name: 1-bromo-2,3-dichlorobenzene
Empirical Formula: C6H3BrCl2
Molecular Weight: 225.898
InChI
InChI=1/C6H3BrCl2/c7-4-2-1-3-5(8)6(4)9/h1-3H
Smiles
c1(c(cccc1Br)Cl)Cl
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 0 Å2
Index of Refraction: 1.59
Molar Refractivity: 43.73 cm3
Molar Volume: 129.5 cm3
Surface Tension: 41.8 dyne/cm
Density: 1.744 g/cm3
Flash Point: 108.7 °C
Enthalpy of Vaporization: 45.9 kJ/mol
Boiling Point: 241.5 °C at 760 mmHg
Vapour Pressure: 0.0556 mmHg at 25°C
CAS Registry Number: 56961-77-4
EINECS: 260-476-2
Melting point: 58-61 ºC
Water solubility: insoluble
Product Categories: Aromatic Hydrocarbons (substituted) & Derivatives; Bromine Compounds; Chlorine Compounds; Aryl; C6; Halogenated Hydrocarbons
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39-28
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
S28:After contact with skin, wash immediately with plenty of soap-suds.
WGK Germany: 3
Specification
1-Bromo-2,3-dichlorobenzene , with CAS number of 56961-77-4, can be called 2,3-Dichlorobromobenzene ; 2,3-dichloro-1-bromobenzene ; 1-bromo-2,3-dichlorobenzene ; benzene, 1-bromo-2,3-dichloro- ; 1-bromo-2,3-dichlorobenzene,>98% ; 1-bromo-2,3-dichlorobenzene 98% ; 1,2-Dichloro-3-bromobenzene ; 1-Bromo-2,3-dichlorobenzene,99% . It is a light yellow crystalline flake.