| Identification | More | [Name]
4-Bromothioanisole | [CAS]
104-95-0 | [Synonyms]
1-BROMO-4-(METHYLTHIO)BENZENE
4-BROMOPHENYL METHYL SULFIDE
4-BROMOTHIOANISOLE
P-BROMOPHENYL METHYL SULFIDE
P-BROMO THIOANISOLE
1-Bromo-4-(methylsulfanyl)benzene
4-Bromo(methylthio)benzene
Methyl 4-bromophenylsulfide
p-(Methylthio)phenyl bromide
p-Bromo(methylthio)benzene
Sulfide, p-bromophenyl methyl
4-Bromophenyl methyl sulphide
4-Bromo-1-(methylthio)benzene
4-BROMOTHIOANISOLE, TECH., 90%
4-Bromothioanisole, 98+%
4-Bromo
4-(methylthio)bromobenzene
4-BROMOTHIOANISOLE/4-BROMOPHENYL METHYL SULPHIDE
4-BROMOTHIOANISOLE 98%
(4-bromophenyl)(methyl)sulfane | [EINECS(EC#)]
203-255-8 | [Molecular Formula]
C7H7BrS | [MDL Number]
MFCD00000102 | [Molecular Weight]
203.1 | [MOL File]
104-95-0.mol |
| Questions And Answer | Back Directory | [Synthesis]
100 mg of p-bromothiophenol (0.53 mmol), 4 mL of DMF, and 178 mg of potassium tert-butoxide (1.6 mmol, 3 eq.) were added sequentially to a reaction flask. After stirring at room temperature for 5 minutes, once the potassium tert-butoxide was evenly dispersed, methyl trifluoroacetate (0.21 mL, 2.1 mmol, 4 eq.) was slowly injected into the reaction flask. After reacting for 10 hours, TLC was performed. The reaction was complete when the starting material spot disappeared, and stirring was stopped. The extract was extracted twice with ethyl acetate and distilled water, then washed with saturated NaCl solution. The organic phases were combined, dried over anhydrous magnesium sulfate, filtered to remove magnesium sulfate, and the solvent was removed by rotary evaporation. The product was purified by column chromatography to give a colorless liquid 4-bromothioanisole (72 mg, yield 67%). | [Uses]
4-Bromothioanisole is a urinary metabolites of bromobenzene in rats. |
| Chemical Properties | Back Directory | [Appearance]
white to beige low melting crystalline mass, | [Melting point ]
38-40 °C(lit.)
| [Boiling point ]
128-130 °C10 mm Hg(lit.)
| [density ]
1.5027 (estimate) | [Fp ]
>230 °F
| [storage temp. ]
Inert atmosphere,2-8°C | [form ]
Low Melting Crystalline Mass, Crystals, Crystalline Powder or Chunks | [color ]
White to beige | [Specific Gravity]
1.07 | [Sensitive ]
Stench | [BRN ]
1906693 | [InChI]
InChI=1S/C7H7BrS/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3 | [InChIKey]
YEUYZNNBXLMFCW-UHFFFAOYSA-N | [SMILES]
C1(Br)=CC=C(SC)C=C1 | [CAS DataBase Reference]
104-95-0(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzene, 1-bromo-4-(methylthio)-(104-95-0) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302 | [Precautionary statements ]
P264-P270-P301+P312-P501 | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed. | [Safety Statements ]
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [RIDADR ]
UN 3335 | [WGK Germany ]
3
| [Hazard Note ]
Irritant/Stench | [REACH Registrations]
Active | [HazardClass ]
IRRITANT, STENCH | [HS Code ]
29093090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral |
| Hazard Information | Back Directory | [Chemical Properties]
white to beige low melting crystalline mass, | [General Description]
4-Bromothioanisole undergoes Heck olefination reaction with styrenes to yield stilbenes. |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
|