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1,3-Phenylene Diisocyanate - >98.0%(GC), high purity , CAS No.123-61-5

COA

Grade & Purity:

≥98%(GC)

Cas Number: 123-61-5
Molecular Weight: 160.13
Beilstein Registry Number: 13,50
MDL number: MFCD00002018
PubChem CID: 31262
PubChem SID: 504753446

In stock

Item Number

P160603

Grouped product items
SKU	Size	Availability	Price
P160603-1g	1g	3	$41.90
P160603-5g	5g	1	$140.90
P160603-25g	25g	3	$632.90

View related series

Imide (271) Polymer / polymer reagent (675)

Basic Description

Synonyms	Benzene-1,3-diisocyanate \| P1092 \| 1,3-Phenylenediisocyanate \| AKOS015889119 \| NSC 511721 \| 1,3-Phenylene diisocyanate [Diisocyanates] \| AS-33227 \| EINECS 204-637-7 \| MFCD00002018 \| SCHEMBL27873 \| Benzene, 1,3-diisocyanato- \| B44H9MFH1S \| 1,3-Diisocyanato
Specifications & Purity	≥98%(GC)
Storage Temp	Store at 2-8°C
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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzene and substituted derivatives
Alternative Parents	Isocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Monocyclic benzene moiety - 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 benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
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	504753446
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504753446
IUPAC Name	1,3-diisocyanatobenzene
INCHI	InChI=1S/C8H4N2O2/c11-5-9-7-2-1-3-8(4-7)10-6-12/h1-4H
InChIKey	VGHSXKTVMPXHNG-UHFFFAOYSA-N
Smiles	C1=CC(=CC(=C1)N=C=O)N=C=O
Isomeric SMILES	C1=CC(=CC(=C1)N=C=O)N=C=O
RTECS	NR0150000
PubChem CID	31262
UN Number	2206
Packing Group	II
Molecular Weight	160.13
Beilstein	13,50
Reaxy-Rn	776957

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.

4 results found

Lot Number	Certificate Type	Date	Item
A1921070	Certificate of Analysis	Dec 26, 2024	P160603
K2421474	Certificate of Analysis	Apr 13, 2024	P160603
K2421475	Certificate of Analysis	Apr 13, 2024	P160603
A1921069	Certificate of Analysis	Nov 14, 2022	P160603

Chemical and Physical Properties

Sensitivity	Moisture Sensitive,Heat Sensitive
Boil Point(°C)	103 °C/8.3 mmHg
Melt Point(°C)	50 °C
Molecular Weight	160.130 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	160.027 Da
Monoisotopic Mass	160.027 Da
Topological Polar Surface Area	58.900 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	215.000
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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