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Hexamethylene diisocyanate - 99%, high purity , CAS No.822-06-0, Activator of TRPA1

399 Citations

COA

Grade & Purity:

Moligand™

≥99%

Cas Number: 822-06-0
Molecular Weight: 168.19
Beilstein Registry Number: 956709
EC Number: 212-485-8
MDL number: MFCD00002047
PubChem CID: 13192

In stock

Item Number

H106723

Grouped product items
SKU	Size	Availability	Price
H106723-25ml	25ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$21.90
H106723-100ml	100ml	2	$40.90
H106723-500ml	500ml	3	$94.90
H106723-12×500ml	12×500ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,024.90

View related series

Isocyanates (16)

Basic Description

Synonyms	CCRIS 8431 \| NCGC00164175-01 \| EC 212-485-8 \| S 90 \| Tox21_202206 \| 1,6-hexane diisocyanate \| BRN 0956709 \| Hexamethylene-1,6-diisocyanate \| Hexamethylene diisocyanate, 1,6- \| Hexane,6-diisocyanato- \| Metyleno-bis-fenyloizocyjanian \| Isocyanic acid, hexam
Specifications & Purity	Moligand™, ≥99%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Action Type	ACTIVATOR
Mechanism of action	Activator of TRPA1
Product Description	Hexamethylene diisocyanate is an aliphatic diisocyanate monomer typically used to produce oligomers and prepolymers that when combined with a polyol produce light-stable polyurethane.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Isocyanates
Intermediate Tree Nodes	Not available
Direct Parent	Isocyanates
Alternative Parents	Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as isocyanates. These are organic compounds containing the isocyanic acid tautomer, HN=C=O, of cyanic acid, HOC#N or its hydrocarbyl derivatives RN=C=O.
External Descriptors	diisocyanate
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

Associated Targets(Human)

TRPA1 Tclin Transient receptor potential cation channel subfamily A member 1 (1 Activities)

Discover Target: TRPA1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	1,6-diisocyanatohexane
INCHI	InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2
InChIKey	RRAMGCGOFNQTLD-UHFFFAOYSA-N
Smiles	C(CCCN=C=O)CCN=C=O
Isomeric SMILES	C(CCCN=C=O)CCN=C=O
WGK Germany	1
RTECS	MO1740000
UN Number	2281
Packing Group	II
Molecular Weight	168.19
Beilstein	956709
Reaxy-Rn	956709
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=956709&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.

26 results found

Lot Number	Certificate Type	Date	Item
B2525120	Certificate of Analysis	Feb 11, 2025	H106723
B2525117	Certificate of Analysis	Feb 11, 2025	H106723
B2525121	Certificate of Analysis	Feb 11, 2025	H106723
B2525115	Certificate of Analysis	Feb 11, 2025	H106723
L2427425	Certificate of Analysis	Jul 15, 2024	H106723
A2503106	Certificate of Analysis	May 07, 2024	H106723
B2508052	Certificate of Analysis	May 07, 2024	H106723
A2503107	Certificate of Analysis	May 07, 2024	H106723
E2421126	Certificate of Analysis	May 07, 2024	H106723
E2421127	Certificate of Analysis	May 07, 2024	H106723
E2421541	Certificate of Analysis	May 07, 2024	H106723
E2421128	Certificate of Analysis	May 07, 2024	H106723
A2418035	Certificate of Analysis	Apr 07, 2023	H106723
D23251011	Certificate of Analysis	Apr 07, 2023	H106723
A2426079	Certificate of Analysis	Apr 07, 2023	H106723
D23251009	Certificate of Analysis	Apr 07, 2023	H106723
D23251156	Certificate of Analysis	Apr 07, 2023	H106723
D23251179	Certificate of Analysis	Apr 07, 2023	H106723
K2216426	Certificate of Analysis	Nov 01, 2022	H106723
K2216424	Certificate of Analysis	Nov 01, 2022	H106723
K2216423	Certificate of Analysis	Nov 01, 2022	H106723
K2216425	Certificate of Analysis	Nov 01, 2022	H106723
H2209406	Certificate of Analysis	Jul 29, 2022	H106723
H2209396	Certificate of Analysis	Jul 29, 2022	H106723
H2209407	Certificate of Analysis	Jul 29, 2022	H106723
H2209408	Certificate of Analysis	Jul 29, 2022	H106723

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Chemical and Physical Properties

Solubility	Reacts with water.Soluble in ether, benzene, toluene, acetone.
Sensitivity	Moisture sensitive, Heat sensitive
Refractive Index	1.451-1.453
Flash Point(°F)	284℉
Flash Point(°C)	140℃
Boil Point(°C)	255°C
Melt Point(°C)	-67°C
Molecular Weight	168.190 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	168.09 Da
Monoisotopic Mass	168.09 Da
Topological Polar Surface Area	58.900 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	169.000
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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