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3-Chlorohexane - >95.0%(GC), high purity , CAS No.2346-81-8

COA

Grade & Purity:

≥95%(GC)

Cas Number: 2346-81-8
Molecular Weight: 120.62
Beilstein Registry Number: 1(4)349
MDL number: MFCD00039350
PubChem CID: 33016
PubChem SID: 504753495

In stock

Item Number

C153662

Grouped product items
SKU	Size	Availability	Price	Qty
C153662-5ml	5ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$134.90
C153662-10ml	10ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$242.90

View related series

Haloalkane (186) Non heterocyclic block (8163)

Basic Description

Synonyms	EINECS 271-741-7 \| SCHEMBL483757 \| BXSMMAVTEURRGG-UHFFFAOYSA-N \| EINECS 219-072-1 \| Hexane, 3-chloro- \| DTXSID90870956 \| FT-0634206 \| MFCD00039350 \| 3-Chlorohexane \| 3-chloro-hexane \| 3-Hexyl Chloride \| AKOS009159001 \| InChI=1/C6H13Cl/c1-3-5-6(7)4-2/h6H,3
Specifications & Purity	≥95%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organohalogen compounds
  - Class Organochlorides

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Organochlorides
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Organochlorides
Alternative Parents	Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine 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	504753495
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504753495
IUPAC Name	3-chlorohexane
INCHI	InChI=1S/C6H13Cl/c1-3-5-6(7)4-2/h6H,3-5H2,1-2H3
InChIKey	BXSMMAVTEURRGG-UHFFFAOYSA-N
Smiles	CCCC(CC)Cl
Isomeric SMILES	CCCC(CC)Cl
Molecular Weight	120.62
Beilstein	1(4)349
Reaxy-Rn	1731330
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731330&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Refractive Index	1.42
Flash Point(°C)	25 °C
Boil Point(°C)	123°C
Molecular Weight	120.620 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Exact Mass	120.071 Da
Monoisotopic Mass	120.071 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	35.200
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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