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Safety Information

52045

Sigma-Aldrich

Hexacyclen

≥97.0% (NT)

Synonym(s):

1,4,7,10,13,16-Hexaazacyclooctadecane

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About This Item

Empirical Formula (Hill Notation):
C12H30N6
CAS Number:
296-35-5
Molecular Weight:
258.41
Beilstein:
1105038
EC Number:
206-042-8
MDL number:
MFCD00042750
UNSPSC Code:
12352005
PubChem Substance ID:
57651354
NACRES:
NA.22

Assay

≥97.0% (NT)

form

solid

mp

147-152 °C

SMILES string

C1CNCCNCCNCCNCCNCCN1

InChI

1S/C12H30N6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h13-18H,1-12H2

InChI key

RVJABZUDCPZPPM-UHFFFAOYSA-N

Other Notes

Nitrogen analog of 18-crown-6 in which the secondary amines act as excellent electron donors to transition metal cations. Review

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

52045-BULK:
52045-500MG:
52045-100MG:
52045-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
1292793
1292793V
1292793
1087854
044754/1

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D.H. Busch
Accounts of Chemical Research, 11, 392-392 (1978)

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