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5-Bromo-2-chloroanisole

5-Bromo-2-chloroanisole structure

CAS No:
16817-43-9
Formula:
C7H6BrClO
Chemical Name:
5-Bromo-2-chloroanisole
Synonyms:
Benzene,4-bromo-1-chloro-2-methoxy-;Anisole,5-bromo-2-chloro-;4-Bromo-1-chloro-2-methoxybenzene;2-Chloro-5-bromoanisole;5-Bromo-2-chloroanisole;4-Chloro-3-methoxybromobenzene;5-Bromo-2-chloro-1-methoxybenzene;3-Bromo-6-chloroanisole;1-Bromo-4-chloro-3-methoxybenzene
Categories:
Chemical Reagents > Organic Reagents

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Description

White to yellow liquid or solid

5-Bromo-2-chloroanisole Basic Attributes

Molecular Weight：

221.48

Exact Mass：

221.48

DSSTox ID：

DTXSID20377761

HScode：

29093090

Characteristics

PSA：

9.2

XLogP3：

3.4

Appearance：

Clear colorless to pale yellow Liquid or Low Melting Solid

Density：

1.631 g/mL at 25 °C(lit.)

Melting Point：

27-28 °C

Boiling Point：

114 °C @ Press: 9 Torr

Flash Point：

26 °C

Refractive Index：

n 20/D 1.587(lit.)

Water Solubility：

Soluble in water.

Vapor Pressure：

0.0922mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36/37/39-24/25

Marks：

Hazard note：

Irritant

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

5-Bromo-2-chloroanisole Use and Manufacturing

To a solution of 5-bromo-2-chlorophenol (20 g, 96.41 mmol, 1 eq) in DMF (150 mL) was added K2CO3 (26.65 g, 192.82 mmol, 2 eq) and Mel (16.42 g, 115.69 mmol, 7.20 mL, 1.2 eq). The mixture was stirred at 55C for 3 h. Water (1000 mL) was added and the mixture was extracted with petroleum ether (300 mL x 3). The combined organics were washed with brine (200 mL x 2), dried over Na2S04, filtered and concentrated in vacuo. Compound 4-bromo-l-chloro-2-methoxybenzene (20 g, crude) was obtained as a yellow solid. 1H NMR (DMSO-

Computed Properties

Molecular Weight:221.48
XLogP3:3.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:219.92906
Monoisotopic Mass:219.92906
Topological Polar Surface Area:9.2
Heavy Atom Count:10
Complexity:110
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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