ChemicalBook--->CAS DataBase List--->556-96-7

556-96-7

556-96-7 Structure

556-96-7 Structure
IdentificationMore
[Name]

5-Bromo-m-xylene
[CAS]

556-96-7
[Synonyms]

1-BROMO-3,5-DIMETHYLBENZENE
5-BROMO-3,5-DIMETHYLBENZENE
5-BROMOMETAXYLENE
5-BROMO-M-XYLENE
3,5-Dimethylbromobenzene
5-Bromo-1,3-xylene
m-Xylene, 5-bromo-
5-BROMO-M-XYLENE 98%
5-Bromo-m-xylene,98%
1-Bromo-3,5-dimethylbenzene 98%
1-Bromo-3,5-dimethylbenzene98%
3,5-DIMETHYLBROMOBENZENE/5-BROMO-M-XYLENE
5-BROMO-M-XYLENE, 97+%
Methyl sulfoxide(DMSO)
3,5-Dimethyl-1-bromobenzene
3,5-Dimethylphenyl bromide
3,5-Xylyl bromide
[EINECS(EC#)]

629-686-5
[Molecular Formula]

C8H9Br
[MDL Number]

MFCD00000087
[Molecular Weight]

185.06
[MOL File]

556-96-7.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powder
[Melting point ]

-20.49°C (estimate)
[Boiling point ]

202-204 °C(lit.)
[density ]

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

n20/D 1.549(lit.)
[Fp ]

189 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Miscible with tetrahydrofuran.
[form ]

Liquid
[color ]

Clear colorless to light yellow
[Specific Gravity]

1.362
[Detection Methods]

GC,NMR
[BRN ]

1926375
[InChI]

InChI=1S/C8H9Br/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3
[InChIKey]

LMFRTSBQRLSJHC-UHFFFAOYSA-N
[SMILES]

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

556-96-7(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzene, 1-bromo-3,5-dimethyl-(556-96-7)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

29036990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

4-Bromo-2,6-dimethylaniline-->3,5-Dimethylphenylboronic acid-->o-Phenanthroline-->Oxygen-->Potassium bromide-->N,N-Dimethylformamide-->Cupric bromide
[Preparation Products]

(S)-(-)-7,7'-Bis[di(3,5-dimethylphenyl)phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobiindane-->2-Dicyclohexylphosphino-2'-(N,N-dimethylamino)biphenyl-->TRI-M-TOLYLPHOSPHINE-->TRI-P-TOLYLPHOSPHINE-->(XYL)2P(O)H-->3,5-Dimethylbenzaldehyde-->1-Iodo-3,5-dimethylbenzene-->3-(aminomethyl)-5-bromobenzonitrile-->3,3',5,5'-Tetramethylbiphenyl-->3-Bromo-5-cyanobenzyl bromide-->Methyl 3,5-dimethylbenzoate-->Bis(3,5-dimethylphenyl)phosphine-->3-bromo-5-methylbenzoic acid-->3,5-Dimethylphenylhydrazine hydrochloride-->1-Ethynyl-3,5-dimethyl-benzene-->2-Chloro-3',5'-dimethylbenzophenone
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

5-Bromo-m-xylene(556-96-7).msds
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powder
[Uses]

5-Bromo-m-xylene has been used in the synthesis of substituted 2,2′-bis(diphenylphosphanylmethyl)-1,1′-binaphthyl derivatives.
[General Description]

Palladium catalyzed carbon-oxygen coupling of 1-bromo-3,5-dimethylbenzene and o-cresol to potassium hydroxide to produce o-tolyl-3,5-xylyl ether has been reported.
[Synthesis]

3,5-Dimethylphenylboronic acid

172975-69-8

5-Bromo-m-xylene

556-96-7

General procedure for the synthesis of 3,5-dimethylbromobenzene from 3,5-dimethylphenylboronic acid: KX (X = I, Br) (0.2 mmol), 3,5-dimethylphenylboronic acid (0.3 mmol), CuBr2 (4.5 mg, 10 mol%), 1,10-phenanthroline (7.2 mg, 20 mol%), and DMF (2 mL). The reaction mixture was stirred at 80 °C or 130 °C for the reaction. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure and the residue was purified by rapid column chromatography on silica gel to afford the target product 3,5-dimethylbromobenzene.

[References]

[1] Tetrahedron Letters, 2011, vol. 52, # 16, p. 1993 - 1995
Spectrum DetailBack Directory
[Spectrum Detail]

5-Bromo-m-xylene(556-96-7)MS
5-Bromo-m-xylene(556-96-7)1HNMR
5-Bromo-m-xylene(556-96-7)13CNMR
5-Bromo-m-xylene(556-96-7)IR1
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5-Bromo-m-xylene, 98%(556-96-7)
[Alfa Aesar]

5-Bromo-m-xylene, 98%(556-96-7)
[Sigma Aldrich]

556-96-7(sigmaaldrich)
[TCI AMERICA]

5-Bromo-m-xylene,>98.0%(GC)(556-96-7)
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