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Tolylene-2,6-diisocyanate - ≥98%, high purity , CAS No.91-08-7

COA

Grade & Purity:

≥98%

Cas Number: 91-08-7
Molecular Weight: 174.16
Beilstein Registry Number: 2211546
EC Number: 202-039-0
MDL number: MFCD00002010
PubChem CID: 7040

In stock

Item Number

T769897

Grouped product items
SKU	Size	Availability	Price	Qty
T769897-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$154.90
T769897-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$562.90

Basic Description

Synonyms	2-Methyl-m-phenylene Diisocyanate
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Protected from light,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 Toluenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Toluenes
Intermediate Tree Nodes	Not available
Direct Parent	Toluene diisocyanates
Alternative Parents	Isocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Toluene diisocyanate - 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 toluene diisocyanates. These are organic compounds containing a benzene ring, which is substituted by a methyl group and two isocyanate groups.
External Descriptors	an aromatic compound
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

IUPAC Name	1,3-diisocyanato-2-methylbenzene
INCHI	InChI=1S/C9H6N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h2-4H,1H3
InChIKey	RUELTTOHQODFPA-UHFFFAOYSA-N
Smiles	CC1=C(C=CC=C1N=C=O)N=C=O
Isomeric SMILES	CC1=C(C=CC=C1N=C=O)N=C=O
WGK Germany	2
RTECS	CZ6310000
UN Number	2078
Packing Group	II
Molecular Weight	174.16
Beilstein	2211546
Reaxy-Rn	2211546

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Moisture sensitive；ight sensitive；heat sensitive
Refractive Index	1.5708
Flash Point(°F)	＞110℃
Flash Point(°C)	＞110℃
Boil Point(°C)	129-133°C
Melt Point(°C)	13°C
Molecular Weight	174.160 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	174.043 Da
Monoisotopic Mass	174.043 Da
Topological Polar Surface Area	58.900 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	239.000
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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