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1,3,6-Hexanetricarbonitrile - >98.0%(HPLC), high purity , CAS No.1772-25-4

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 1772-25-4
Molecular Weight: 161.21
MDL number: MFCD00129792
PubChem CID: 15678
PubChem SID: 504752694

In stock

Item Number

H157139

Grouped product items
SKU	Size	Availability	Price
H157139-1g	1g	3	$9.90
H157139-5g	5g	3	$23.90
H157139-25g	25g	1	$69.90
H157139-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$199.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	UNII-SJY3YNQ3SI \| HSDB 5855 \| DTXSID4041234 \| SCHEMBL1323168 \| 1,3,6-TRICYANOHEXANE \| CAS-1772-25-4 \| 1,3,6-Hexanetricarbonitrile \| SJY3YNQ3SI \| 4-Cyanosuberonitrile \| hexane-1,3,6-tricarbonitrile \| EINECS 217-199-7 \| CHEMBL3183751 \| HTCN
Specifications & Purity	≥98%(HPLC)
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Organic cyanides

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Organic cyanides
Intermediate Tree Nodes	Not available
Direct Parent	Nitriles
Alternative Parents	Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N.
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	504752694
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504752694
IUPAC Name	hexane-1,3,6-tricarbonitrile
INCHI	InChI=1S/C9H11N3/c10-6-2-1-4-9(8-12)5-3-7-11/h9H,1-5H2
InChIKey	LNLFLMCWDHZINJ-UHFFFAOYSA-N
Smiles	C(CC#N)CC(CCC#N)C#N
Isomeric SMILES	C(CC#N)CC(CCC#N)C#N
Molecular Weight	161.21
Reaxy-Rn	1859243
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1859243&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.

22 results found

Lot Number	Certificate Type	Date	Item
E2513288	Certificate of Analysis	Apr 18, 2025	H157139
E2513291	Certificate of Analysis	Apr 18, 2025	H157139
E2513292	Certificate of Analysis	Apr 18, 2025	H157139
E2513298	Certificate of Analysis	Apr 18, 2025	H157139
K2414607	Certificate of Analysis	Nov 05, 2024	H157139
K2414608	Certificate of Analysis	Nov 05, 2024	H157139
K2414609	Certificate of Analysis	Nov 05, 2024	H157139
G2423374	Certificate of Analysis	Jul 11, 2024	H157139
G2423376	Certificate of Analysis	Jul 11, 2024	H157139
G2423379	Certificate of Analysis	Jul 11, 2024	H157139
J2424296	Certificate of Analysis	Jul 11, 2024	H157139
F2424259	Certificate of Analysis	Mar 30, 2024	H157139
D2402311	Certificate of Analysis	Mar 18, 2024	H157139
D2402312	Certificate of Analysis	Mar 18, 2024	H157139
D2402313	Certificate of Analysis	Mar 18, 2024	H157139
E2411303	Certificate of Analysis	Mar 15, 2024	H157139
E2411305	Certificate of Analysis	Mar 15, 2024	H157139
L2322024	Certificate of Analysis	Dec 27, 2023	H157139
L1812065	Certificate of Analysis	Oct 14, 2022	H157139
G2321022	Certificate of Analysis	Oct 14, 2022	H157139
L1812064	Certificate of Analysis	Oct 14, 2022	H157139
H2202308	Certificate of Analysis	Aug 05, 2022	H157139

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Chemical and Physical Properties

Sensitivity	Air Sensitive
Refractive Index	1.47
Flash Point(°C)	85°C(lit.)
Boil Point(°C)	200°C/0.2mmHg(lit.)
Molecular Weight	161.200 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	161.095 Da
Monoisotopic Mass	161.095 Da
Topological Polar Surface Area	71.400 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	253.000
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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