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Cas Database |
| Name |
3-Bromothioanisole |
EINECS | 608-901-6 |
| CAS No. | 33733-73-2 | Density | 1.52 g/cm3 |
| PSA | 25.30000 | LogP | 3.17100 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C7H7BrS | Boiling Point | 237.4 °C at 760 mmHg |
| Molecular Weight | 203.103 | Flash Point | 97.4 °C |
| Transport Information | N/A | Appearance | Pale-Yellow Liquid |
| Safety | 23-24/25 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Sulfide,m-bromophenyl methyl (6CI,7CI,8CI);1-Bromo-3-(methylsulfanyl)benzene;1-Bromo-3-(methylthio)benzene;3-(Methylthio)bromobenzene;3-Bromophenyl methylsulfide;3-Bromothioanisole;Methyl m-bromophenyl sulfide;m-Bromo(methylthio)benzene;m-Bromophenyl methyl sulfide;m-Bromothioanisole; |
Article Data | 16 |
3-Bromothioanisole Synthetic route
| Conditions | Yield |
|---|---|
| With potassium carbonate In acetone for 4h; Heating; | 100% |
| Stage #1: 3-Bromothiophenol With sodium methylate In methanol at 20℃; for 0.5h; Stage #2: methyl iodide In methanol at 20℃; Further stages.; | 86.1% |
| With sodium hydroxide |
| Conditions | Yield |
|---|---|
| With potassium tert-butylate In acetonitrile at 50℃; for 6h; Sealed tube; | 80% |
- 110-05-4
di-tert-butyl peroxide
- 19742-90-6
1-bromo-3-[(3-bromophenyl)disulfanyl]benzene
- 33733-73-2
3-bromo-1-(methylthio)benzene
| Conditions | Yield |
|---|---|
| In acetonitrile at 120℃; for 12h; Inert atmosphere; Schlenk technique; Green chemistry; | 67% |
| Conditions | Yield |
|---|---|
| With tetrabutylammomium bromide; copper(II) acetate monohydrate; potassium hydroxide In water at 100℃; for 12h; Sealed tube; | 60% |
| With n-butyllithium 1.) THF, -78 deg C, 2 h, 2.) THF, from -75 deg C to RT; Yield given. Multistep reaction; |
- 624-92-0
Dimethyldisulphide
- 89598-96-9
(3-bromophenyl)boronic acid
- 33733-73-2
3-bromo-1-(methylthio)benzene
| Conditions | Yield |
|---|---|
| With di-tert-butyl peroxide In acetonitrile at 120℃; for 12h; Sealed tube; | 60% |
| Conditions | Yield |
|---|---|
| With potassium tert-butylate In acetonitrile at 50℃; for 6h; Sealed tube; | 42% |
- 6320-01-0
3-Bromothiophenol
- 33733-73-2
3-bromo-1-(methylthio)benzene
| Conditions | Yield |
|---|---|
| With potassium hydroxide; dimethyl sulfate |
- 1783-81-9
3-methylmercaptoaniline
- 33733-73-2
3-bromo-1-(methylthio)benzene
| Conditions | Yield |
|---|---|
| With sulfuric acid Diazotization.Erwaermen der Diazoniumsalz-Loesung mit CuBr und KBr auf 60-70grad; |
- 2568-36-7
6,6-dibromobicylo[3.1.0]hexane
A
- 109380-07-6, 109431-74-5, 122797-27-7, 61426-49-1
2-bromocyclohex-2-en-1-ol
B
- 33733-73-2
3-bromo-1-(methylthio)benzene
C
- 19614-16-5
2-bromo-1-(methylsulfanyl)benzene
D
- 17202-32-3
1,6-dibromocyclohex-1-ene
| Conditions | Yield |
|---|---|
| In dimethyl sulfoxide at 125℃; for 0.5h; Mechanism; var. of conditions; |
3-Bromothioanisole Chemical Properties
Molecular Structure of 3-Bromothioanisole (CAS NO.33733-73-2):
IUPAC Name: 1-bromo-3-methylsulfanylbenzene
Molecular Formula: C7H7BrS
Molecular Weight: 203.099480 g/mol
Density: 1.52 g/cm3
Water Solubility: 44.67 mg/L at 25 °C
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 25.3Å2
Index of Refraction: 1.624
Molar Refractivity: 47.11 cm3
Molar Volume: 133.3 cm3
Surface Tension: 45.8 dyne/cm
Sensitive: Stench
BRN: 2078598
Flash Point: 97.4 °C
Enthalpy of Vaporization: 45.49 kJ/mol
Boiling Point: 237.4 °C at 760 mmHg
Vapour Pressure: 0.0692 mmHg at 25°C
Categories: Miscellaneous; Aromatics Compounds; Aromatics; Sulfur & Selenium Compounds
3-Bromothioanisole Safety Profile
Hazard Codes: 
Xi
Safety Statements: 23-24/25
R23 :Toxic by inhalation.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
WGK Germany: 3
Hazard Note: Irritant/Stench
HazardClass: Irritant/Stench
3-Bromothioanisole Specification
3-Bromothioanisole , with CAS number of 33733-73-2, can be called 1-Bromo-3-(methylsulfanyl)benzene ; 1-Bromo-3-(methylthio)benzene ; 3-(Methylthio)bromobenzene ; 3-Bromophenyl methylsulfide ; Methyl m-bromophenyl sulfide ; m-Bromo(methylthio)benzene ; m-Bromophenyl methyl sulfide ; m-Bromothioanisole . It is a pale-yellow liquid.
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