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Product No: CN2151

4'-Bromobenzo-18-crown 6-Ether, >95.0%

Name: 4'-Bromobenzo-18-crown 6-Ether
Brand: Chempure

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CAS Number

75460-28-5

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About this item

IUPAC name	20-bromo-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
canonical smiles	C1COCCOCCOC2=C(C=CC(=C2)Br)OCCOCCO1
inchi	InChI=1S/C16H23BrO6/c17-14-1-2-15-16(13-14)23-12-10-21-8-6-19-4-3-18-5-7-20-9-11-22-15/h1-2,13H,3-12H2
inchi key	XHHZIFBFFGIFNI-UHFFFAOYSA-N
molecular formula	C16H23BrO6
synonyms	75460-28-5 4'-Bromobenzo-18-crown 6-Ether 4-Bromobenzo-18-crown-6 4'-BROMOBENZO-18-CROWN-6 18-bromo-2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine

Computed Properties

Molecular Weight:	391.25 g/mol
XLogP3:	1
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	6
Rotatable Bond Count:	0
Exact Mass:	390.06780 g/mol
Monoisotopic Mass:	390.06780 g/mol
Topological Polar Surface Area:	55.4 Å²
Heavy Atom Count:	23
Formal Charge:	0
Complexity:	294
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Dibenzo-18-crown-6

4-Bromoveratrole

4'-Acetylbenzo-18-crown 6-Ether

4'-Aminodibenzo-18-crown-6

18-Bromo-2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine

4'-Aminobenzo-18-crown-6

6-Bromo-1,4-benzodioxane

Benzo-18-crown-6

4-Vinylbenzo-18-crown-6

1,4,7,10,13-Benzopentaoxacyclopentadecin, 2,3,5,6,8,9,11,12-octahydro-15-bromo-

18-Bromo-2,3,5,6,8,9,11,12,14,15-decahydro-1,7,10,16,4,13-benzotetraoxadithiacyclooctadecine

7-bromo-3,4-dihydro-2H-1,5-benzodioxepine

18,19-Dibromo-2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine

4'-Formylbenzo-18-crown 6-Ether

15,16-Dibromo-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2 (100%)
precautionary statement codes	P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

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About this item

Documentation

Certificate of Analysis

Lot Number

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	20-bromo-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
canonical smiles	C1COCCOCCOC2=C(C=CC(=C2)Br)OCCOCCO1
inchi	InChI=1S/C16H23BrO6/c17-14-1-2-15-16(13-14)23-12-10-21-8-6-19-4-3-18-5-7-20-9-11-22-15/h1-2,13H,3-12H2
inchi key	XHHZIFBFFGIFNI-UHFFFAOYSA-N
molecular formula	C16H23BrO6
synonyms	75460-28-5 4'-Bromobenzo-18-crown 6-Ether 4-Bromobenzo-18-crown-6 4'-BROMOBENZO-18-CROWN-6 18-bromo-2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine

Computed Properties

Molecular Weight:	391.25 g/mol
XLogP3:	1
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	6
Rotatable Bond Count:	0
Exact Mass:	390.06780 g/mol
Monoisotopic Mass:	390.06780 g/mol
Topological Polar Surface Area:	55.4 Å²
Heavy Atom Count:	23
Formal Charge:	0
Complexity:	294
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Dibenzo-18-crown-6

4-Bromoveratrole

4'-Acetylbenzo-18-crown 6-Ether

4'-Aminodibenzo-18-crown-6

18-Bromo-2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine

4'-Aminobenzo-18-crown-6

6-Bromo-1,4-benzodioxane

Benzo-18-crown-6

4-Vinylbenzo-18-crown-6

1,4,7,10,13-Benzopentaoxacyclopentadecin, 2,3,5,6,8,9,11,12-octahydro-15-bromo-

18-Bromo-2,3,5,6,8,9,11,12,14,15-decahydro-1,7,10,16,4,13-benzotetraoxadithiacyclooctadecine

7-bromo-3,4-dihydro-2H-1,5-benzodioxepine

18,19-Dibromo-2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine

4'-Formylbenzo-18-crown 6-Ether

15,16-Dibromo-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2 (100%)
precautionary statement codes	P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Product No: CN2151

4'-Bromobenzo-18-crown 6-Ether, >95.0%

Product No: CN2151

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: CN2151

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?