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(2,2-difluoro-hexahydro-1H-pyrrolizin-7a-yl)methanol - 97%, high purity , CAS No.1788873-48-2

COA

Grade & Purity:

≥97%

Cas Number: 1788873-48-2
Molecular Weight: 177.2
MDL number: MFCD30802952
PubChem CID: 118109123

In stock

Item Number

M630475

Grouped product items
SKU	Size	Availability	Price
M630475-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$233.90
M630475-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$389.90
M630475-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$545.90
M630475-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$779.90
M630475-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,901.90

Basic Description

Synonyms	(2,2-Difluoro-hexahydro-1H-pyrrolizin-7a-yl)methanol \| 1788873-48-2 \| (2,2-Difluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol \| (6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol \| SCHEMBL16757174 \| MFCD30802952 \| BS-43169 \| CS-0058112 \| P20498
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolizidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolizidines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Pyrrolizidines
Alternative Parents	N-alkylpyrrolidines Trialkylamines 1,2-aminoalcohols Azacyclic compounds Primary alcohols Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Pyrrolizidine - N-alkylpyrrolidine - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Alcohol - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyrrolizidines. These are compounds containing a pyrrolizidine, which is a bicyclic ring system made up of two fused pyrrolidine ring sharing a nitrogen atom.
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-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
INCHI	InChI=1S/C8H13F2NO/c9-8(10)4-7(6-12)2-1-3-11(7)5-8/h12H,1-6H2
InChIKey	DSFJGMRTAPNJLK-UHFFFAOYSA-N
Smiles	C1CC2(CC(CN2C1)(F)F)CO
Isomeric SMILES	C1CC2(CC(CN2C1)(F)F)CO
PubChem CID	118109123
Molecular Weight	177.2

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	177.190 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	177.097 Da
Monoisotopic Mass	177.097 Da
Topological Polar Surface Area	23.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	197.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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