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(3-Bromopropoxy)benzene

(3-Bromopropoxy)benzene structure

CAS No:
588-63-6
Formula:
C9H11BrO
Chemical Name:
(3-Bromopropoxy)benzene
Synonyms:
Benzene,(3-bromopropoxy)-;Ether,3-bromopropyl phenyl;(3-Bromopropoxy)benzene;γ-Phenoxypropyl bromide;3-Phenoxypropyl bromide;3-Bromopropyl phenyl ether;1-Bromo-3-phenoxypropane;3-Bromo-1-phenoxypropane;3-Phenoxy-1-bromopropane;NSC 2641
Categories:
Pharmaceutical Intermediates > Respiratory Tract

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Description

lightbrown liquid

(3-Bromopropoxy)benzene Basic Attributes

Molecular Weight：

215.09

Exact Mass：

215.09

BRN：

508978

EC Number：

209-623-4

NSC Number：

2641

DSSTox ID：

DTXSID1060425

HScode：

2909309090

Characteristics

PSA：

9.2

XLogP3：

3.4

Appearance：

Clear slightly brown Liquid

Density：

1.3±0.1 g/cm3

Melting Point：

10.7 °C

Boiling Point：

136-142 °C @ Press: 20 Torr

Flash Point：

228 °F

Refractive Index：

1.538

Peroxide Forming Chemical：

3-Bromopropyl phenyl ether|D: Other compounds that may form peroxides|Kelly

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-24/25

Marks：

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 20 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

(3-Bromopropoxy)benzene Use and Manufacturing

Methods of Manufacturing

(3-Bromopropoxy)benzene (26). Phenol (1.0 g, 10.6 mmol) was dissolved inacetone (20 ml). Anhydrous potassium carbonate (7.34 g, 53.1 mmol) and 1, 3-dibromopropane (8.58 g, 42.5 mmol) was added to the solution. The reaction mixture wasrefluxed in an oil bath for 12 h. After the reaction, the potassium carbonate was removed bysuction filtration and solvent was removed under reduced pressure to give the crude productwhich was then purified by column chromatography using ethyl acetate:hexane (3:7) to giveproduct 26 (2.05 g, 90 percent). 1H NMR (400 MHz, CDCI3) 8 2.24 (m, 2H), 3.54 (t, J = 6.4 Hz, 2H), 4.03(t, J = 5.8 Hz, 2H), 6.86 (m, 3H), 7.21 (m, 2H).General procedure: 1, 3-Dibromopropane (21.09 g, 0.10 mol) was added dropwise to a stirred mixture of 4-bromophenol (8.65 g, 0.05 mol), KGeneral procedure: To a suspension of phenol(or thiophenol) (60 mmol, 1 eq.) and Kphenol4.78g, 0.05mol), 1, 3-dibromopropane (50g, 0.25mol), Potassium carbonate(10g, 0.075mol) mixed in 100ml of Acetonitrile at 80A mixture of phenol (200 mg, 2.13 mmol, 187 uL, 1.00 eq), 1, 3-dibromopropane (2.57 g, 12.8 mmol, 1.30 mL, 6.00 eq) and K

Manufacturing Info：

Benzene, (3-bromopropoxy)-: INACTIVE

Computed Properties

Molecular Weight:215.09
XLogP3:3.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:213.99933
Monoisotopic Mass:213.99933
Topological Polar Surface Area:9.2
Heavy Atom Count:11
Complexity:89.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-Phenoxypropyl bromide 588-63-6

CAS No.: 588-63-6

Grade: Pharmaceutical Grade

Content: 99%

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Hangzhou KieRay Chem Co.,LTD Contact Supplier

CN
5 YRS

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Manufactory Supplier of fine chemicals,pharmaceutical materials

3-Phenoxypropyl bromide

CAS No.: 588-63-6

Grade: industrial Grade

Content: 98%

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