3173-56-6 | Benzyl isocyanate

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$25.00	$18.00
5g	95%	in stock	$54.00	$38.00
25g	95%	in stock	$106.00	$75.00
100g	95%	in stock	$299.00	$209.00
500g	95%	in stock	$1,132.00	$793.00

Description

• Catalog Number: AB45612
• Chemical Name: Benzyl isocyanate
• CAS Number: 3173-56-6
• Molecular Formula: C8H7NO
• Molecular Weight: 133.1473
• MDL Number: MFCD00009701
• SMILES: O=C=NCc1ccccc1
• NSC Number: 118415

Computed Properties

• Complexity: 132
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• XLogP3: 2.6

Literature

• Chip-based on-line nanospray MS method enabling study of the kinetics of isocyanate derivatization reactions.

  Analytical chemistry 20051101

• Structure-activity relationship of S-benzylisothiourea derivatives to induce spherical cells in Escherichia coli.

  Bioscience, biotechnology, and biochemistry 20041101

• Involvement of toxicity as an early event in urinary bladder carcinogenesis induced by phenethyl isothiocyanate, benzyl isothiocyanate, and analogues in F344 rats.

  Toxicologic pathology 20030101

• Efficient synthesis of 4,4'-bi-1H-imidazol-2-ones from 5-amino-alpha-imino-1H-imidazole-4-acetonitriles and isocyanates.

  The Journal of organic chemistry 20020809

• Syntheses of puromycin from adenosine and 7-deazapuromycin from tubercidin, and biological comparisons of the 7-aza/deaza pair.

  The Journal of organic chemistry 20011130

• Effect of chemopreventive agents on DNA adduction induced by the potent mammary carcinogen dibenzo[a,l]pyrene in the human breast cells MCF-7.

  Mutation research 20010901

• Differential effects of naturally occurring isothiocyanates on the activities of cytochrome P450 2E1 and the mutant P450 2E1 T303A.

  Archives of biochemistry and biophysics 20010701

• Effects of benzyl isothiocyanate on rat and human cytochromes P450: identification of metabolites formed by P450 2B1.

  The Journal of pharmacology and experimental therapeutics 20010101