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3,4,5-Trimethoxybenzonitrile - 97%, high purity , CAS No.1885-35-4

COA

Grade & Purity:

≥97%

Cas Number: 1885-35-4
Molecular Weight: 193.2
EC Number: 217-550-4
MDL number: MFCD00001803
PubChem CID: 15892
PubChem SID: 504752718

In stock

Item Number

W132687

Grouped product items
SKU	Size	Availability	Price
W132687-1g	1g	3	$20.90
W132687-5g	5g	3	$77.90
W132687-25g	25g	2	$299.90
W132687-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,077.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	2,5-Trimethoxybenzonitrile \| EINECS 217-550-4 \| SY048584 \| 3,4,5-Trimethoxybenzonitrile \| 3,4,5-trimethoxy-benzonitrile \| 3,5-Trimethoxybenzenecarbonitrile \| STL353607 \| SCHEMBL509507 \| A813236 \| MFCD00001803 \| W-107754 \| FT-0614165 \| AKOS001079104 \| Benz
Specifications & Purity	≥97%
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	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	504752718
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504752718
IUPAC Name	3,4,5-trimethoxybenzonitrile
INCHI	InChI=1S/C10H11NO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,1-3H3
InChIKey	OSBQUSPVORCDCU-UHFFFAOYSA-N
Smiles	COC1=CC(=CC(=C1OC)OC)C#N
Isomeric SMILES	COC1=CC(=CC(=C1OC)OC)C#N
WGK Germany	3
RTECS	DI4965000
PubChem CID	15892
Molecular Weight	193.2
Reaxy-Rn	979686

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
B2224250	Certificate of Analysis	Dec 22, 2023	W132687
B2224547	Certificate of Analysis	Dec 22, 2023	W132687
B2224239	Certificate of Analysis	Dec 22, 2023	W132687
B2224332	Certificate of Analysis	Dec 22, 2023	W132687

Chemical and Physical Properties

Solubility	Soluble in Methanol
Boil Point(°C)	185 °C/10 mmHg
Melt Point(°C)	94 °C
Molecular Weight	193.200 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	193.074 Da
Monoisotopic Mass	193.074 Da
Topological Polar Surface Area	51.500 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	209.000
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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