Catalog No.:AA0033VF

623-00-7 | 4-Bromobenzonitrile

Name: Name:4-Bromobenzonitrile
Brand: AABLOCKS
SKU: AA0033VF
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Rating: 90 (10 reviews)

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10g

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25g

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Technical Information
Properties
Literature
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Technical Information
Properties
Literature

Technical Information

Catalog Number:

AA0033VF

Chemical Name:

4-Bromobenzonitrile

CAS Number:

623-00-7

Molecular Formula:

C7H4BrN

Molecular Weight:

182.0174

MDL Number:

MFCD00001811

SMILES:

N#Cc1ccc(cc1)Br

NSC Number:

3978

Properties

BP:

236.8°C at 760 mmHg

Form:

Solid

MP:

110-115 °C(lit.)

Refractive Index:

1.5999 (estimate)

Solubility:

0.2g/l

Storage:

Keep in dry area;Room Temperature;

Computed Properties

Complexity:

127

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

XLogP3:

2.6

Literature

Title: 3',4'-Dimeth-oxy-biphenyl-4-carbonitrile.

Journal: Acta crystallographica. Section E, Structure reports online 20120401

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Fluorogenic derivatization of aryl halides based on the formation of biphenyl by Suzuki coupling reaction with phenylboronic acid.

Journal: Journal of chromatography. A 20091002

Title: 4-Bromo-thio-benzamide.

Journal: Acta crystallographica. Section E, Structure reports online 20090601

Title: Scaled quantum chemical studies on the vibrational spectra of 4-bromo benzonitrile.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20090101

Title: 1,2-Bis[5-(4-cyano-phen-yl)-2-methyl-3-thien-yl]-3,3,4,4,5,5-hexa-fluoro-cyclo-pent-1-ene: a photochromic diaryl-ethene compound.

Journal: Acta crystallographica. Section E, Structure reports online 20080501

Title: Pd-catalyzed intermolecular amidation of aryl halides: the discovery that xantphos can be trans-chelating in a palladium complex.

Journal: Journal of the American Chemical Society 20020529

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