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3-Methoxybenzonitrile - 98%, high purity , CAS No.1527-89-5

COA

Grade & Purity:

≥98%

Cas Number: 1527-89-5
Molecular Weight: 133.15
Beilstein Registry Number: 10(2)82
EC Number: 216-201-3
MDL number: MFCD00001801
PubChem CID: 73712
PubChem SID: 488184792

In stock

Item Number

M107611

Grouped product items
SKU	Size	Availability	Price
M107611-1g	1g	4	$9.90
M107611-5g	5g	5	$38.90
M107611-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$68.90
M107611-25g	25g	5	$109.90
M107611-100g	100g	3	$393.90
M107611-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,769.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	EINECS 216-201-3 \| A21196 \| 3-METHOXYBENZONITRILE \| M1291 \| FT-0615990 \| MFCD00001801 \| m-Cyanoanisole \| 3-anisonitrile \| 3-methoxy benzonitrile \| M-Methoxybenzonitrile;Benzonitrile, 3-methoxy-;Benzonitrile, m-methoxy- \| UY5E89BBS6 \| Benzonitrile, m-metho
Specifications & Purity	≥98%
Storage Temp	Protected from light,Room temperature
Shipped In	Normal
Product Description	3-Methoxybenzonitrile undergoes dealkylation on treatment with SiCl4/LiI and BF3. application： 3-Methoxybenzonitrile has been used in the synthesis of new organic pigments which were evaluated as the active medium of the solid-state dye laser.

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	Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Nitriles Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Anisole - Benzonitrile - Methoxybenzene - Phenol ether - Alkyl aryl ether - Ether - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen 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	488184792
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488184792
IUPAC Name	3-methoxybenzonitrile
INCHI	InChI=1S/C8H7NO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,1H3
InChIKey	KLXSUMLEPNAZFK-UHFFFAOYSA-N
Smiles	COC1=CC=CC(=C1)C#N
Isomeric SMILES	COC1=CC=CC(=C1)C#N
WGK Germany	3
Molecular Weight	133.15
Beilstein	10(2)82
Reaxy-Rn	1932666
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1932666&ln=

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

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

Analytical Chart:

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10 results found

Lot Number	Certificate Type	Date	Item
J1509026	Certificate of Analysis	Jul 07, 2023	M107611
B2317291	Certificate of Analysis	Feb 25, 2023	M107611
B2320347	Certificate of Analysis	Jan 29, 2023	M107611
B2320344	Certificate of Analysis	Jan 29, 2023	M107611
B2320328	Certificate of Analysis	Jan 29, 2023	M107611
B2320329	Certificate of Analysis	Jan 29, 2023	M107611
J22111180	Certificate of Analysis	Jul 29, 2022	M107611
J22111195	Certificate of Analysis	Jul 29, 2022	M107611
J22111199	Certificate of Analysis	Jul 29, 2022	M107611
J22111262	Certificate of Analysis	Jul 29, 2022	M107611

Chemical and Physical Properties

Solubility	Slightly soluble in water; Very soluble in Ethanol,Ether
Sensitivity	Light sensitive.
Refractive Index	1.54
Flash Point(°F)	221 °F
Flash Point(°C)	105 °C
Boil Point(°C)	140°C/34mmHg
Melt Point(°C)	283°C
Molecular Weight	133.150 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	133.053 Da
Monoisotopic Mass	133.053 Da
Topological Polar Surface Area	33.000 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	147.000
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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