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6,6-difluoro-1,4-diazepane;dihydrobromide - 97%, high purity , CAS No.529509-60-2

COA

Grade & Purity:

≥97%

Cas Number: 529509-60-2
MDL number: MFCD30803879 MFCD17015571
PubChem CID: 135396087

In stock

Item Number

D634054

Grouped product items
SKU	Size	Availability	Price
D634054-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$149.90
D634054-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$239.90
D634054-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$399.90
D634054-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$599.90
D634054-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,001.90

Basic Description

Synonyms	6,6-difluoro-1,4-diazepane dihydrobromide \| 529509-60-2 \| MFCD30803879 \| 6,6-difluoro-1,4-diazepanedihydrobromide \| BS-43268 \| 6,6-difluoro-1,4-diazepane \| dihydrobromide \| D76165
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazepanes
    - Subclass 1,4-diazepanes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazepanes
Subclass	1,4-diazepanes
Intermediate Tree Nodes	Not available
Direct Parent	1,4-diazepanes
Alternative Parents	Dialkylamines Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives Hydrobromides Alkyl fluorides
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	1,4-diazepane - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrobromide - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 1,4-diazepanes. These are diazepanes having the two nitrogen atoms at position 1 and 4 of the diazepane ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	6,6-difluoro-1,4-diazepane;dihydrobromide
INCHI	InChI=1S/C5H10F2N2.2BrH/c6-5(7)3-8-1-2-9-4-5;;/h8-9H,1-4H2;2*1H
InChIKey	RYDVDHYLPRRPFG-UHFFFAOYSA-N
Smiles	C1CNCC(CN1)(F)F.Br.Br
PubChem CID	135396087

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	297.970 g/mol
XLogP3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	297.931 Da
Monoisotopic Mass	295.934 Da
Topological Polar Surface Area	24.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	85.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	3

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