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[2,5]-DIBENZO-21-CROWN-7

[2,5]-DIBENZO-21-CROWN-7 structure

CAS No:
14098-41-0
Formula:
C22H28O7
Chemical Name:
[2,5]-DIBENZO-21-CROWN-7
Synonyms:
[2,5]-DIBENZO-21-CROWN-7;[3,4]-DIBENZO-21-CROWN-7;6,7,9,10,12,13,20,21,23,24-DECAHYDRODIBENZO[B,K][1,4,7,10,13,16,19]HEPTAOXACYCLO HENEICOSIN;6,7,10,12,13,15,16,23,24-DECAHYDRODIBENZO[B,H][1,4,7,10,13,16,19]HEPTAOXACYCLOHENEICOSIN;DIBENZO-21-CROWN-7;DIBENZO-21-CROWN 7-ETHER;3,4-DIBENZO-21-CROWN-7 98%;[3,4]-Dibenzo-21-crown-7,98%
Categories:
Chemical Reagents > Organic Reagents

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Description

white fluffy amorphous powder

[2,5]-DIBENZO-21-CROWN-7 Basic Attributes

Molecular Weight：

404.45

Exact Mass：

404.183502

DSSTox ID：

DTXSID30342925

HScode：

29329990

Characteristics

PSA：

64.61000

XLogP3：

1.70

Appearance：

White Fluffy Amorphous Powder

Density：

1.1710 (rough estimate)

Melting Point：

103-107 °C(lit.)

Boiling Point：

486.07°C (rough estimate)

Flash Point：

221.6±30.0 °C

Refractive Index：

1.6380 (estimate)

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

37/39-26

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

Drug Information

MeSH Entry Terms：

dibenzo-21-crown-7

Computed Properties

Molecular Weight:404.5
XLogP3:2.3
Hydrogen Bond Acceptor Count:7
Exact Mass:404.18350323
Monoisotopic Mass:404.18350323
Topological Polar Surface Area:64.6
Heavy Atom Count:29
Complexity:373
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes