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1,3-Bis(2-isocyanato-2-propyl)benzene - >97.0%(GC), high purity , CAS No.2778-42-9

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1,3-Bis(2-isocyanato-2-propyl)benzene - >97.0%(GC), high purity , CAS No.2778-42-9

2 Citations

COA

Grade & Purity:

≥97%(GC)

Cas Number: 2778-42-9
Molecular Weight: 244.29
MDL number: MFCD00142493
PubChem CID: 17719

In stock

Item Number

B152785

Grouped product items
SKU	Size	Availability	Price
B152785-25g	25g	2	$22.90
B152785-500g	500g	1	$160.90
B152785-100g	100g	2	$64.90

View related series

Imide (271) Polymer / polymer reagent (675)

Basic Description

Synonyms	1,3-BIS(.ALPHA.-ISOCYANATOISOPROPYL)BENZENE \| 1,3-Bis(alpha-isocyanatoisopropyl)benzene \| BRN 2811946 \| D95302 \| .ALPHA.,.ALPHA.,.ALPHA.',.ALPHA.'-TETRAMETHYL-1,3-XYLYLENE DIISOCYANATE \| m-Tetramethylxylene diisocyanate \| NCGC00164167-01 \| YMD74QL0TC \| MF
Specifications & Purity	≥97%(GC)
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.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylpropanes
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpropanes
Alternative Parents	Isocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylpropane - 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 phenylpropanes. These are organic compounds containing a phenylpropane 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

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	1,3-bis(2-isocyanatopropan-2-yl)benzene
INCHI	InChI=1S/C14H16N2O2/c1-13(2,15-9-17)11-6-5-7-12(8-11)14(3,4)16-10-18/h5-8H,1-4H3
InChIKey	AZYRZNIYJDKRHO-UHFFFAOYSA-N
Smiles	CC(C)(C1=CC(=CC=C1)C(C)(C)N=C=O)N=C=O
Isomeric SMILES	CC(C)(C1=CC(=CC=C1)C(C)(C)N=C=O)N=C=O
RTECS	CY8480000
Molecular Weight	244.29
Reaxy-Rn	2811946
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2811946&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.

10 results found

Lot Number	Certificate Type	Date	Item
C2412085	Certificate of Analysis	Jan 13, 2024	B152785
C2412086	Certificate of Analysis	Jan 13, 2024	B152785
C2412087	Certificate of Analysis	Jan 13, 2024	B152785
C2412088	Certificate of Analysis	Jan 13, 2024	B152785
C2412148	Certificate of Analysis	Jan 13, 2024	B152785
C2412149	Certificate of Analysis	Jan 13, 2024	B152785
L1904140	Certificate of Analysis	Sep 11, 2023	B152785
H2322178	Certificate of Analysis	Jul 26, 2023	B152785
H2322136	Certificate of Analysis	Jul 26, 2023	B152785
H2322179	Certificate of Analysis	Jul 26, 2023	B152785

Chemical and Physical Properties

Solubility	Soluble in Ether
Sensitivity	heat & light & Moisture sensitive
Refractive Index	1.51
Flash Point(°F)	153°C(lit.)
Flash Point(°C)	153 °C
Boil Point(°C)	106°C/0.9mmHg(lit.)
Melt Point(°C)	-10°C(lit.)
Molecular Weight	244.290 g/mol
XLogP3	4.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	244.121 Da
Monoisotopic Mass	244.121 Da
Topological Polar Surface Area	58.900 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	353.000
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

Alternative Products

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Jiexiang Tong, Subin Xie, Jia-Tao Miao, Jing Luo, Ren Liu. (2024) Preparation of UV-cured polyurethane-urea acrylate coatings with high hardness and toughness. PROGRESS IN ORGANIC COATINGS, 186 (107969).
2. Ge Zhao, Kangning Wu, Zhuolin Zhang, Dongxu An, Xu Zhang, Li Ran, Fusheng Zhou, Jianying Li. (2024) Novel recyclable epoxy resin with releasable residual stress and synergistically enhanced dielectric properties and healing ability. POLYMER, 311 (127569).

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