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2,6-Diisopropylphenyl isocyanate - 98%, high purity , CAS No.28178-42-9

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2,6-Diisopropylphenyl isocyanate - 98%, high purity , CAS No.28178-42-9

COA

Grade & Purity:

≥98%

Cas Number: 28178-42-9
Molecular Weight: 203.28
Beilstein Registry Number: 2645721
EC Number: 248-885-4
MDL number: MFCD00008882
PubChem CID: 92259

In stock

Item Number

D103629

Grouped product items
SKU	Size	Availability	Price
D103629-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$13.90
D103629-5g	5g	1	$38.90
D103629-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$123.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	2,6-Bis(isopropyl)phenyl isocyanate \| 2,6-diisopropylphenylisocynate \| Benzene, 1,3-bis(1-methylethyl)-2-isocyanato- \| AKOS015889872 \| W-107065 \| 2-Pyridinemethanol, 6-bromo- \| 2,6-DIISOPROPYLPHENYLISOCYANATE \| 2,6-diisopropyl-phenylisocyanate \| 2,6-Diiso
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Cumenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Cumenes
Intermediate Tree Nodes	Not available
Direct Parent	Cumenes
Alternative Parents	Phenylpropanes Isocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylpropane - Cumene - Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
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

Associated Targets(non-human)

Xenopus laevis (337 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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	2-isocyanato-1,3-di(propan-2-yl)benzene
INCHI	InChI=1S/C13H17NO/c1-9(2)11-6-5-7-12(10(3)4)13(11)14-8-15/h5-7,9-10H,1-4H3
InChIKey	FEUFNKALUGDEMQ-UHFFFAOYSA-N
Smiles	CC(C)C1=C(C(=CC=C1)C(C)C)N=C=O
Isomeric SMILES	CC(C)C1=C(C(=CC=C1)C(C)C)N=C=O
WGK Germany	2
RTECS	CY8545000
UN Number	3382
Molecular Weight	203.28
Beilstein	2645721
Reaxy-Rn	2645721
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2645721&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.

7 results found

Lot Number	Certificate Type	Date	Item
I2426174	Certificate of Analysis	Aug 15, 2024	D103629
I2426175	Certificate of Analysis	Aug 15, 2024	D103629
I2426176	Certificate of Analysis	Aug 15, 2024	D103629
I2426177	Certificate of Analysis	Aug 15, 2024	D103629
I2426179	Certificate of Analysis	Aug 15, 2024	D103629
I2426180	Certificate of Analysis	Aug 15, 2024	D103629
E2408159	Certificate of Analysis	Mar 23, 2024	D103629

Chemical and Physical Properties

Refractive Index	1.519
Flash Point(°F)	224.6 °F
Flash Point(°C)	107 °C
Boil Point(°C)	117°C/10mmHg
Molecular Weight	203.280 g/mol
XLogP3	5.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	203.131 Da
Monoisotopic Mass	203.131 Da
Topological Polar Surface Area	29.400 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	225.000
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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