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1-Bromo-3-ethoxybenzene

1-Bromo-3-ethoxybenzene structure

CAS No:
2655-84-7
Formula:
C8H9BrO
Chemical Name:
1-Bromo-3-ethoxybenzene
Synonyms:
Benzene,1-bromo-3-ethoxy-;Phenetole,m-bromo-;1-Bromo-3-ethoxybenzene;3-Ethoxybromobenzene;3-Bromophenetole;3-Ethoxy-1-bromobenzene;3-Bromobenzene ethyl ether
Categories:
Chemical Reagents > Organic Reagents

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1-Bromo-3-ethoxybenzene Basic Attributes

Molecular Weight：

201.063

Exact Mass：

201.06

EC Number：

220-186-9

DSSTox ID：

DTXSID00181126

HScode：

2909309090

Characteristics

PSA：

9.2

XLogP3：

Density：

1.4±0.1 g/cm3

Boiling Point：

219.8°C at 760 mmHg

Flash Point：

100.2±5.8 °C

Refractive Index：

1.532

Vapor Pressure：

0.173mmHg at 25°C

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

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 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-Bromo-3-ethoxybenzene Use and Manufacturing

b. 3-Bromo-ethoxy benzene: Sodium hydride (18.4 g 60percent oil dispersion, 460 mmol) was suspended in 1000 mL DMF and cooled to 0°C. 3-Bromophenol (72 g, 419 mmol) was placed in a dropping funnel, melted with a heat gun, and added dropwise. After addition, the mixture was stirred 30 min at 0°C. Ethyl iodide (40 mL, 78 g, 503 mmol) was then added dropwise, and the mixture was stirred 12 hours allowing to warm to room temperature. The reaction was then quenched by careful addition of water (1000 ml), then extracted 4 X 500 ml EtOAc. The organic layers were washed 8 x 200 ml H2O, dried over Na2SO4, filtered, then concentrated. The residue was distilled under house vacuum collecting the fraction boiling >120°C to give 70 g desired product (84percent yield). Density = 1.47 g/ml

Computed Properties

Molecular Weight:201.06
XLogP3:3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:199.98368
Monoisotopic Mass:199.98368
Topological Polar Surface Area:9.2
Heavy Atom Count:10
Complexity:95.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1-Bromo-3-ethoxybenzene

CAS No.: 2655-84-7

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