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1-Bromo-3-ethylbenzene

1-Bromo-3-ethylbenzene structure

CAS No:
2725-82-8
Formula:
C8H9Br
Chemical Name:
1-Bromo-3-ethylbenzene
Synonyms:
Benzene,1-bromo-3-ethyl-;1-Bromo-3-ethylbenzene;m-Bromoethylbenzene;m-Ethylbromobenzene;3-Ethylbromobenzene;3-Bromo-1-ethylbenzene;(3-Ethylphenyl)bromide;1-Ethyl-3-bromobenzene
Categories:
Organic Chemistry > Coordination Complexes

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Description

Clear colourless to light yellow liquid

1-Bromo-3-ethylbenzene Basic Attributes

Molecular Weight：

185.06

Exact Mass：

185.06

DSSTox ID：

DTXSID40181706

HScode：

2903999090

Characteristics

PSA：

XLogP3：

3.4

Appearance：

Clear colourless to light yellow liquid

Density：

1.3493 g/cm³ @ Temp: 20 °C

Melting Point：

-20.49°C (estimate)

Boiling Point：

200-208 °C

Flash Point：

76-78°C/10mm

Refractive Index：

1.541

Vapor Pressure：

0.373mmHg at 25°C

Safety Information

hazard class code：

36/37/38

safety instructions：

26-36/37/39-37/39

Marks：

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): 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 6 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-Bromo-3-ethylbenzene Use and Manufacturing

Reference General procedure: A solution of the proper olefin substrates (0.5 mmol), dimethylamine-borane (0.25 mmol) and 1 molpercent of the rhenium complex (with 10-15 molpercent of tBuOK according to Table 3) in the given solvent (0.8e1.0 ml) was stirred for given time at 70 °C under nitrogen atmosphere. Upon completion, the reaction mixture was filtered over Celite. The resulting solution was analyzed by General procedure: A solution of 2-chloro-1-[4-(propan-2-yl)phenyl]ethanone (1 g, 5.1 mmol) in dichloroethane (DCE) (10 mL) was placed in a 50 mLthree-mouth round-bottomed flask equipped with a reflux condenser, a calcium chloride drying tube, a thermometer and a magnetic stirring bar. To the stirred reaction solution at room temperature, tickle (0.115 mL, 25percent) followed by PMHS (0.7 g, 12.2 mmol) were added from a syringe. The reaction mixture was heated to reflux and progress of the reaction monitored by thin layer chromatography (tlc) and stopped after three hours. The gelatinous reaction mixture was taken up in hexane (15 mL) and filtered under a plug of celite. The filter cake was washed with hexane (50 mL) and the filtrate concentrated in vacuo.Reference Example G 1 Reference A solution of l-bromo-3-ethylbenzene (2.8Og, 15mmol) and tetrahydrofuran (4OmL) were stirred at -78C under nitrogen. N-butyllithium (1OmL, 16 mmol) was added and stirred for 10 mins. Triisopropyl borate in THF (6.92 mL, 30 mmol) was added and allowed to come to room temperature. 1 M HCl (5OmL) was added and extract with ether (10OmL). Ether was dried over Na2SO4, filtered, and dried. The crude residue was recystallized in water, and washed in hexanes to yield 0.591 g (26%) of 3- ethylphenylboronic acid. MS (M+ACN)+ 195

Computed Properties

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

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