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1-n-Octylpyrrole - >95.0%(GC), high purity , CAS No.50966-65-9

COA

Grade & Purity:

≥95%(GC)

Cas Number: 50966-65-9
Molecular Weight: 179.31
PubChem CID: 10631204
PubChem SID: 488196749

In stock

Item Number

N159212

Grouped product items
SKU	Size	Availability	Price
N159212-1g	1g	9	$33.90
N159212-5g	5g	4	$114.90
N159212-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$397.90

Basic Description

Synonyms	1-n-Octylpyrrole \| 50966-65-9 \| 1-octylpyrrole \| 1-octyl-1H-pyrrole \| N-octylpyrrole \| SCHEMBL562381 \| DTXSID60442689 \| AXCMRJJCPRARIT-UHFFFAOYSA-N \| MFCD00191473 \| AKOS009157444 \| CS-0205250 \| FT-0608160 \| O0242 \| D91841
Specifications & Purity	≥95%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrroles
    - Subclass Substituted pyrroles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrroles
Subclass	Substituted pyrroles
Intermediate Tree Nodes	Not available
Direct Parent	Substituted pyrroles
Alternative Parents	Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Substituted pyrrole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as substituted pyrroles. These are heterocyclic compounds containing a pyrrole ring substituted at one or more positions.
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

Pubchem Sid	488196749
IUPAC Name	1-octylpyrrole
INCHI	InChI=1S/C12H21N/c1-2-3-4-5-6-7-10-13-11-8-9-12-13/h8-9,11-12H,2-7,10H2,1H3
InChIKey	AXCMRJJCPRARIT-UHFFFAOYSA-N
Smiles	CCCCCCCCN1C=CC=C1
Isomeric SMILES	CCCCCCCCN1C=CC=C1
Molecular Weight	179.31
Reaxy-Rn	1636160
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1636160&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot Number	Certificate Type	Date	Item
D2323807	Certificate of Analysis	Nov 09, 2021	N159212
D2323838	Certificate of Analysis	Nov 09, 2021	N159212

Chemical and Physical Properties

Refractive Index	0.87
Flash Point(°C)	108 °C
Boil Point(°C)	130°C/13mmHg(lit.)
Molecular Weight	179.300 g/mol
XLogP3	4.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	7
Exact Mass	179.167 Da
Monoisotopic Mass	179.167 Da
Topological Polar Surface Area	4.900 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	106.000
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	1

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