Name: Name:4-Bromo-2-(bromomethyl)benzonitrile
Brand: AABLOCKS
SKU: AA00DL56
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00DL56

Chemical Name: 4-Bromo-2-(bromomethyl)benzonitrile

CAS Number: 457051-12-6

Molecular Formula: C8H5Br2N

Molecular Weight: 274.9400

MDL Number: MFCD18390221

SMILES: BrCc1cc(Br)ccc1C#N

Properties

Complexity: 172

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 11

Hydrogen Bond Acceptor Count: 1

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 1

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 2.9

Downstream Synthesis Route

67832-11-5

457051-12-6

[1]Patent:WO2007/68905,2007,A1.Locationinpatent:Page/Pagecolumn85-86

[2]JournalofMedicinalChemistry,2008,vol.51,p.6808-6828

[3]Patent:WO2016/168633,2016,A1.Locationinpatent:Page/Pagecolumn193

[4]TetrahedronLetters,2007,vol.48,p.487-489

[5]BioorganicandMedicinalChemistryLetters,2008,vol.18,p.336-343

[6]Patent:WO2015/89337,2015,A1.Locationinpatent:Paragraph0455

[7]Patent:WO2015/103756,2015,A1.Locationinpatent:Page/Pagecolumn34

[8]Patent:WO2015/105736,2015,A1.Locationinpatent:Page/Pagecolumn36

[9]Patent:WO2016/8064,2016,A1.Locationinpatent:Page/Pagecolumn52

[10]Patent:WO2016/44770,2016,A1.Locationinpatent:Page/Pagecolumn939;940

[11]Patent:US2017/37037,2017,A1.Locationinpatent:Paragraph0136

67832-11-5

573675-37-3

457051-12-6

[1]CurrentPatentAssignee:UNIVERSITYOFOXFORD;OxfordUniversityInnovation(in:OxfordUniversity)-WO2005/118560,2005,A1Locationinpatent:Page/Pagecolumn83-84

N-bromosuccinamide

67832-11-5

457051-12-6

[1]Patent:US2005/250753,2005,A1.Locationinpatent:Page/Pagecolumn99-100

16066-84-5

457051-12-6

tert-butyl5-bromo-2-cyanobenzyl(methyl)carbamate

[1]Patent:WO2015/89337,2015,A1.Locationinpatent:Paragraph0456

457051-12-6 | 4-Bromo-2-(bromomethyl)benzonitrile