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4-Methylphthalonitrile - 99%, high purity , CAS No.63089-50-9

COA

Grade & Purity:

≥99%

Cas Number: 63089-50-9
Molecular Weight: 142.16
PubChem CID: 2733971
PubChem SID: 488192459

In stock

Item Number

M171253

Grouped product items
SKU	Size	Availability	Price
M171253-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,819.90
M171253-10g	10g	2	$325.90
M171253-1g	1g	2	$58.90
M171253-25g	25g	2	$652.90
M171253-5g	5g	2	$205.90

Discover 4-Methylphthalonitrile by Aladdin Scientific in 99% for only $58.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	4-Methylphthalonitrile, 99% \| J-515804 \| 2,2-DIMETHYL-PROPIONICACID6-METHOXY-1-OXO-1,3-DIHYDRO-ISOINDOL-2-YLMETHYLESTER \| AMY30614 \| SY056662 \| AKOS015841954 \| DS-2220 \| SCHEMBL1003862 \| AC-30168 \| FT-0640871 \| 1,2-Benzenedicarbonitrile, 4-methyl- \| MFCD0
Specifications & Purity	≥99%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzonitriles
Intermediate Tree Nodes	Not available
Direct Parent	Benzonitriles
Alternative Parents	Toluenes Nitriles Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzonitrile - Toluene - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
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	488192459
IUPAC Name	4-methylbenzene-1,2-dicarbonitrile
INCHI	InChI=1S/C9H6N2/c1-7-2-3-8(5-10)9(4-7)6-11/h2-4H,1H3
InChIKey	MDXGRFMFORMPGT-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C=C1)C#N)C#N
Isomeric SMILES	CC1=CC(=C(C=C1)C#N)C#N
Molecular Weight	142.16
Reaxy-Rn	1866313
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1866313&ln=

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

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

Analytical Chart:

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9 results found

Lot Number	Certificate Type	Date	Item
B2327787	Certificate of Analysis	Aug 19, 2022	M171253
B2327781	Certificate of Analysis	Aug 19, 2022	M171253
B2327796	Certificate of Analysis	Aug 19, 2022	M171253
B2327738	Certificate of Analysis	Aug 19, 2022	M171253
B2327798	Certificate of Analysis	Aug 19, 2022	M171253
B2327779	Certificate of Analysis	Aug 19, 2022	M171253
B2327745	Certificate of Analysis	Aug 19, 2022	M171253
B2327786	Certificate of Analysis	Aug 19, 2022	M171253
B2327744	Certificate of Analysis	Aug 19, 2022	M171253

Chemical and Physical Properties

Melt Point(°C)	119-121 °C
Molecular Weight	142.160 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	142.053 Da
Monoisotopic Mass	142.053 Da
Topological Polar Surface Area	47.600 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	226.000
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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