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2,5-Dimethoxyphenyl isocyanate - ≥95%, high purity , CAS No.56309-62-7

COA

Grade & Purity:

≥95%

Cas Number: 56309-62-7
Molecular Weight: 179.18
MDL number: MFCD00002006
PubChem CID: 4178425

In stock

Item Number

B301302

Grouped product items
SKU	Size	Availability	Price
B301302-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$21.90
B301302-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$62.90
B301302-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$204.90

Basic Description

Synonyms	2,5-Dimethoxyphenyl isocyanate \| 56309-62-7 \| 2-isocyanato-1,4-dimethoxybenzene \| 2,5-dimethoxyphenylisocyanate \| SCHEMBL374346 \| DTXSID10400330 \| BBL104419 \| MFCD00002006 \| STK504580 \| 2,5-Dimethoxyphenyl isocyanate, 97% \| AKOS005171672 \| AS-18943 \| BB 0254404 \| FT-0610408 \| C13354
Specifications & Purity	≥95%
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 Methoxybenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Methoxybenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Dimethoxybenzenes
Alternative Parents	Methoxyanilines Phenoxy compounds Anisoles Alkyl aryl ethers Isocyanates Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	P-dimethoxybenzene - Dimethoxybenzene - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Isocyanate - Ether - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
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

IUPAC Name	2-isocyanato-1,4-dimethoxybenzene
INCHI	InChI=1S/C9H9NO3/c1-12-7-3-4-9(13-2)8(5-7)10-6-11/h3-5H,1-2H3
InChIKey	XNQBFHMCUNRKPM-UHFFFAOYSA-N
Smiles	COC1=CC(=C(C=C1)OC)N=C=O
Isomeric SMILES	COC1=CC(=C(C=C1)OC)N=C=O
Molecular Weight	179.18
Reaxy-Rn	3267303
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3267303&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Flash Point(°C)	230°F
Boil Point(°C)	152-154°/26mm
Molecular Weight	179.170 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	179.058 Da
Monoisotopic Mass	179.058 Da
Topological Polar Surface Area	47.900 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	201.000
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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