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4-Bromo-2-methoxybenzonitrile - 97%, high purity , CAS No.330793-38-9

COA

Grade & Purity:

≥97%

Cas Number: 330793-38-9
Molecular Weight: 212
PubChem CID: 22346702
PubChem SID: 504769207

In stock

Item Number

B183746

Grouped product items
SKU	Size	Availability	Price
B183746-1g	1g	3	$9.90
B183746-5g	5g	3	$20.90
B183746-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$37.90
B183746-25g	25g	3	$71.90
B183746-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$280.90

Basic Description

Synonyms	4-Bromo-2-methoxybenzonitrile \| 330793-38-9 \| 4-BROMO-2-METHOXY-BENZONITRILE \| 2-methoxy-4-bromobenzonitrile \| MFCD06738651 \| Benzonitrile, 4-bromo-2-methoxy- \| SCHEMBL286644 \| DTXSID60625076 \| QRUOZMVYROKPOO-UHFFFAOYSA-N \| STL480848 \| AKOS005147317 \| AB27561 \| AS-2909 \| CS-W00332
Specifications & Purity	≥97%
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	Phenoxy compounds Methoxybenzenes Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Nitriles Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Anisole - Benzonitrile - Phenol ether - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Ether - Nitrile - Carbonitrile - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Cyanide - 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	504769207
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504769207
IUPAC Name	4-bromo-2-methoxybenzonitrile
INCHI	InChI=1S/C8H6BrNO/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4H,1H3
InChIKey	QRUOZMVYROKPOO-UHFFFAOYSA-N
Smiles	COC1=C(C=CC(=C1)Br)C#N
Isomeric SMILES	COC1=C(C=CC(=C1)Br)C#N
Molecular Weight	212
Reaxy-Rn	11403576
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11403576&ln=

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

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

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
J1929207	Certificate of Analysis	Jun 16, 2025	B183746
F2301412	Certificate of Analysis	Sep 09, 2022	B183746
F2301448	Certificate of Analysis	Sep 09, 2022	B183746
F2301416	Certificate of Analysis	Sep 09, 2022	B183746

Chemical and Physical Properties

Molecular Weight	212.040 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	210.963 Da
Monoisotopic Mass	210.963 Da
Topological Polar Surface Area	33.000 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	174.000
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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