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2-n-Octylthiophene - >98.0%(GC), high purity , CAS No.880-36-4

COA

Grade & Purity:

≥98%(GC)

Cas Number: 880-36-4
Molecular Weight: 196.35
MDL number: MFCD00041015
PubChem CID: 70153
PubChem SID: 504754493

In stock

Item Number

N159663

Grouped product items
SKU	Size	Availability	Price
N159663-1g	1g	3	$15.90
N159663-5g	5g	2	$58.90
N159663-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$265.90
N159663-50g	50g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$477.90

View related series

Five-Membered Heterocyclic Compounds (2064) thiophenes (401)

Basic Description

Synonyms	SCHEMBL23407 \| Thiophene, 2-octyl- \| D82005 \| DTXSID70236753 \| Q-200390 \| 2-Octylthiophene \| AS-57000 \| 2-n-Octylthiophene \| FT-0613229 \| MFCD00041015 \| CS-0152265 \| O0376 \| octylthiophene \| AKOS015839920 \| EINECS 212-913-3 \| A842441
Specifications & Purity	≥98%(GC)
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 Heteroaromatic compounds

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Heteroaromatic compounds
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Heteroaromatic compounds
Alternative Parents	Thiophenes Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Heteroaromatic compound - Thiophene - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero 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

Pubchem Sid	504754493
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754493
IUPAC Name	2-octylthiophene
INCHI	InChI=1S/C12H20S/c1-2-3-4-5-6-7-9-12-10-8-11-13-12/h8,10-11H,2-7,9H2,1H3
InChIKey	GIFWAJGKWIDXMY-UHFFFAOYSA-N
Smiles	CCCCCCCCC1=CC=CS1
Isomeric SMILES	CCCCCCCCC1=CC=CS1
Molecular Weight	196.35
Reaxy-Rn	114488
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114488&ln=

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

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

Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
H2124112	Certificate of Analysis	Jun 06, 2025	N159663
H2124115	Certificate of Analysis	Jun 06, 2025	N159663

Chemical and Physical Properties

Sensitivity	heat & Moisture sensitive
Refractive Index	1.49
Boil Point(°C)	125°C/10mmHg(lit.)
Molecular Weight	196.350 g/mol
XLogP3	5.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	7
Exact Mass	196.129 Da
Monoisotopic Mass	196.129 Da
Topological Polar Surface Area	28.200 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	112.000
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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