ChemicalBook--->CAS DataBase List--->19614-16-5

19614-16-5

19614-16-5 Structure

19614-16-5 Structure
IdentificationMore
[Name]

2-Bromothioanisole
[CAS]

19614-16-5
[Synonyms]

1-BROMO-2-(METHYLTHIO)BENZENE
2-BROMOPHENYL METHYL SULFIDE
2-BROMOTHIOANISOLE
O-BROMOTHIOANISOLE
TIMTEC-BB SBB006566
1-Bromo-2-(methylsulfanyl)benzene
o-Bromo(methylthio)benzene
o-Bromophenyl methyl sulfide
Sulfide, o-bromophenyl methyl
Benzene, 1-bromo-2-(methylthio)-
2-(methylthio)bromobenzene
2-BROMOTHIOANISOLE/2-BROMOPHENYL METHYL SULPHIDE
2-BROMOTHIOANISOLE 97%
(2-bromophenyl)(methyl)sulfane
2-Bromothioanisole, 98+%
1-Methylthio-2-bromobenzene
2-(Methylthio)phenyl bromide
Methyl 2-bromophenyl sulfide
[EINECS(EC#)]

243-183-4
[Molecular Formula]

C7H7BrS
[MDL Number]

MFCD00000066
[Molecular Weight]

203.1
[MOL File]

19614-16-5.mol
Chemical PropertiesBack Directory
[Appearance]

clear yellow liquid
[Melting point ]

-24 °C (lit.)
[Boiling point ]

145-146 °C/27 mmHg (lit.)
[density ]

1.522 g/mL at 25 °C(lit.)
[refractive index ]

1.632-1.634
[Fp ]

>110°C
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

Liquid
[color ]

Clear colorless to yellow
[Specific Gravity]

1.522
[BRN ]

2243716
[InChI]

InChI=1S/C7H7BrS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
[InChIKey]

ALAQDUSTXPEHMH-UHFFFAOYSA-N
[SMILES]

C1(Br)=CC=CC=C1SC
[CAS DataBase Reference]

19614-16-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzene, 1-bromo-2-(methylthio)-(19614-16-5)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[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 3334
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT, STENCH
[HS Code ]

29309090
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

clear yellow liquid
[Uses]

2-Bromothioanisole has been used in the preparation of:
  • thioether-methyleneborane (PhSCH2B (C6F5)2)2
  • 1-dimesitylboryl-2-methylthio-benzene
[Synthesis]

2-BROMOTHIOPHENOL

6320-02-1

Iodomethane

74-88-4

2-Bromothioanisole

19614-16-5

Under argon protection, sodium hydroxide (0.32 g, 7.9 mmol) was dissolved in ethanol (3.0 mL), and 2-bromothiophenol (1.0 g, 5.29 mmol) was added slowly and stirred for 30 min at room temperature. Subsequently, iodomethane (0.5 mL, 7.9 mmol) was added and the reaction continued to be stirred at room temperature for 3 hours. Upon completion of the reaction, the reaction was quenched by the addition of ice water (4.0 mL) and the reaction mixture was extracted with dichloromethane (10 mL x 3). The organic layers were combined, washed with saturated saline, dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure. The crude product was purified by fast column chromatography (eluent: petroleum ether) to afford the target compound 2-bromothioanisole.

[References]

[1] Macromolecules, 2002, vol. 35, # 1, p. 67 - 78
[2] Tetrahedron Asymmetry, 2011, vol. 22, # 5, p. 575 - 579
[3] Patent: WO2015/86525, 2015, A1. Location in patent: Page/Page column 127
[4] Tetrahedron Asymmetry, 1999, vol. 10, # 6, p. 1051 - 1060
[5] Organic Letters, 2005, vol. 7, # 1, p. 143 - 145
Spectrum DetailBack Directory
[Spectrum Detail]

2-Bromothioanisole(19614-16-5)MS
2-Bromothioanisole(19614-16-5)1HNMR
2-Bromothioanisole(19614-16-5)13CNMR
2-Bromothioanisole(19614-16-5)IR1
2-Bromothioanisole(19614-16-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Bromothioanisole, 99%(19614-16-5)
[Alfa Aesar]

2-Bromothioanisole, 98%(19614-16-5)
[Sigma Aldrich]

19614-16-5(sigmaaldrich)
[TCI AMERICA]

2-Bromothioanisole,>96.0%(GC)(19614-16-5)
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