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Benzo-15-crown-5

Benzo-15-crown-5 structure

CAS No:
14098-44-3
Formula:
C14H20O5
Chemical Name:
Benzo-15-crown-5
Synonyms:
1,4,7,10,13-Benzopentaoxacyclopentadecin,2,3,5,6,8,9,11,12-octahydro-;2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin;Benzo-15-crown-5;Monobenzo-15-crown-5;2,3-Benzo-15-crown-5;2,3-Benzo-1,4,7,10,13-pentaoxacyclopentadecane;Benzo15C5;NSC 175877;2,5,8,11,14-Pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene;66402-98-0
Categories:
Chemical Reagents > Organic Reagents

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Description

ALMOST WHITE TO LIGHT GREY POWDER OR FLAKES

Benzo-15-crown-5 is a crown ether that is 15-crown-5 ortho-fused to a benzene ring.

Benzo-15-crown-5 Basic Attributes

Molecular Weight：

268.31

Exact Mass：

268.31

BRN：

1624106

EC Number：

237-947-6

NSC Number：

175877

DSSTox ID：

DTXSID70161511

HScode：

29329995

Characteristics

PSA：

46.2

XLogP3：

0.9

Appearance：

Almost white to light gray Powder or Flakes

Density：

1.230 g/cm³

Melting Point：

78-80 °C

Boiling Point：

371.47°C (rough estimate)

Flash Point：

165.9±27.8 °C

Refractive Index：

1.4825 (estimate)

Water Solubility：

partially soluble

Storage Conditions：

2-8°C

Vapor Pressure：

3.2E-06mmHg at 25°C

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

22-24/25-36-26

RTECS Number：

DI5400000

Marks：

Hazard note：

Irritant

Stability/Shelf Life：

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

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 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Benzo-15-crown-5 Use and Manufacturing

Used as metal ion complexing agent and phase transfer reagent

Computed Properties

Molecular Weight:268.30
XLogP3:0.9
Hydrogen Bond Acceptor Count:5
Exact Mass:268.13107373
Monoisotopic Mass:268.13107373
Topological Polar Surface Area:46.2
Heavy Atom Count:19
Complexity:202
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Tetrahydrofuran

Diethylene glycol

Catechol

Sodium hydroxide

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