Cas no 951918-37-9 (2-(2-Bromo-4-methoxyphenoxy)acetonitrile)

2-(2-Bromo-4-methoxyphenoxy)acetonitrile is a brominated aromatic compound featuring a methoxy and cyanoethyl functional group. This intermediate is valuable in synthetic organic chemistry, particularly in the construction of complex molecules such as pharmaceuticals and agrochemicals. The presence of both bromine and nitrile groups enhances its reactivity, enabling selective substitutions or cyclization reactions. Its methoxy substituent further contributes to electronic modulation, making it useful in palladium-catalyzed cross-coupling reactions. The compound’s well-defined structure ensures consistent performance in multi-step syntheses. Suitable for controlled functionalization, it serves as a versatile precursor in medicinal chemistry and material science applications. Proper handling under inert conditions is recommended due to its sensitivity.

2-(2-Bromo-4-methoxyphenoxy)acetonitrile structure

951918-37-9 structure

Product Name:2-(2-Bromo-4-methoxyphenoxy)acetonitrile

CAS No:951918-37-9

MF:C₉H₈BrNO₂

MW:242.069321632385

MDL:MFCD09906448

CID:1086125

PubChem ID:22688458

Update Time:2025-09-28

2-(2-Bromo-4-methoxyphenoxy)acetonitrile Chemical and Physical Properties

Names and Identifiers

- 2-(2-Bromo-4-methoxyphenoxy)acetonitrile
- 2-(2-Bromo-4-methoxyphenoxy)acetonitrile (ACI)
- AKOS015835570
- MFCD09906448
- DB-363908
- E85499
- DTXSID40627578
- BNB91837
- (2-Bromo-4-methoxyphenoxy)acetonitrile
- CS-0197530
- BS-22732
- 951918-37-9
- MDL： MFCD09906448
- Inchi： 1S/C9H8BrNO2/c1-12-7-2-3-9(8(10)6-7)13-5-4-11/h2-3,6H,5H2,1H3
- InChI Key： PXHPYIIMQBZJKF-UHFFFAOYSA-N
- SMILES： N#CCOC1C(Br)=CC(OC)=CC=1

Computed Properties

Exact Mass: 240.97400
Monoisotopic Mass: 240.97384g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 3
Heavy Atom Count: 13
Rotatable Bond Count: 3
Complexity: 201
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 2.3
Topological Polar Surface Area: 42.2?2

Experimental Properties

PSA: 42.25000
LogP: 2.36008

2-(2-Bromo-4-methoxyphenoxy)acetonitrile Pricemore >>

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eNovation Chemicals LLC	Y1104890-25g	2-(2-bromo-4-methoxyphenoxy)acetonitrile	951918-37-9	95%	25g	$800	2024-07-23
abcr	AB272728-1 g	2-(2-Bromo-4-methoxyphenoxy)acetonitrile; 98%	951918-37-9		1g	€110.00	2023-04-26
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