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5-Bromo-m-xylene

5-Bromo-m-xylene structure

CAS No:
556-96-7
Formula:
C8H9Br
Chemical Name:
5-Bromo-m-xylene
Synonyms:
5-BROMO-M-XYLENE;5-BROMOMETAXYLENE;3,5-Xylylbromide;m-Xylene,5-bromo-;5-Bromo-1,3-xylene;5-Bromo-m-xylene,98%;5-BROMO-M-XYLENE98%;5-BROMO-M-XYLENE,97+%;Methylsulfoxide(DMSO);5-Bromo-m-xylene
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

white to light yellow crystal powder

5-Bromo-m-xylene Basic Attributes

Molecular Weight：

185.06

Exact Mass：

183.988754

BRN：

1926375

EC Number：

1308068-626-2

DSSTox ID：

DTXSID00204142

HScode：

29036990

Characteristics

PSA：

XLogP3：

3.4

Appearance：

Clear colorless to light yellow Liquid

Density：

1.3±0.1 g/cm3

Melting Point：

-20.49°C (estimate)

Boiling Point：

202-204 °C(lit.)

Flash Point：

189 °F

Refractive Index：

1.544

Water Solubility：

Miscible with tetrahydrofuran.

Storage Conditions：

Store below +30°C.

Safety Information

wgk germany：

hazard class code：

36/37/38-22

safety instructions：

26-36/37/39-37/39

Marks：

Hazard note：

Irritant

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (99.27%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 137 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

5-Bromo-m-xylene Use and Manufacturing

Methods of Manufacturing

General procedure: under oxygen, a sealed reaction tube was charged with KX (X = I, Br) (0.2 mmol), arylboronic acid (0.3 mmol), CuBr97 ml (1.82 mol) of96percent sulfuric acid was added dropwise to a solution of134.7 g (ca. 673 mmol) of 4-bromo-2, 6-dimethylaniline (prepared above, purity ca.90percent) in 1400 ml of95percent ethanol cooled to -10°C, at a such a rate to maintain the reaction temperature below 7°C. After the addition was complete, the solution wasstirred at room temperature for 1 h. Then, the reaction mixture was cooled in an icebath, and a solution of72.5 g (1.05 mol) of sodium nitrite in 150 ml of water wasadded dropwise over ca. 1 h. The formed solution was stirred at the sametemperature for 30 min. Then the cooling bath was removed, and 18 g of copper powder was added. Upon completion of the rapid evolution of nitrogen additionalportions (ca. 5 g each, ca. 50 g in total) of copper powder were added with 10 minintervals until gas evolution ceased completely. The reaction mixture was stirred atroom temperature overnight, then filtered through a glass frit (G3), diluted with twofoldvolume of water, and the crude product was extracted with 4 x 150 ml of dichloromethane. The combined extract was dried over K2C03, evaporated todryness, and then distilled in vacuum (b.p. 60-63°C/5 mm Hg) to give a yellowishliquid. This product was additionally purified by flash-chromatography on silica gel60 (40-63 )lm; eluent: hexane) and distilled once again (b.p. 51-52°C/3 mm Hg) togive 63.5 g (51percent) of 1-bromo-3, 5-dimethylbenzene as a colorless liquid. 1H NMR (CDCh): b 7.12 (s, 2H), 6.89 (s, IH), 2.27 (s, 6H). 13CeH} NMR(CDCh): b 139.81, 129.03, 128.61, 122.04, 20.99.

Uses

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

Computed Properties

Molecular Weight:185.06
XLogP3:3.4
Exact Mass:183.98876
Monoisotopic Mass:183.98876
Heavy Atom Count:9
Complexity:80.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 5-Bromo-m-xylene

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5-Bromo-m-xylene

CAS No.: 556-96-7

Content: 99.00%

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Chongqing Yuhan Technology Co., Ltd Contact Supplier

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Trader Supplier of CARBONOCHLORIDOTHIOIC ACID,5-OCTYLESTER

3,5-Dimethylbromobenzene

CAS No.: 556-96-7

Grade: High Purity Grade

Content: 98%

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