Name: Name:Benzyl isocyanate
Brand: AABLOCKS
SKU: AA0034FK
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA0034FK

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

Properties

BP: 198.5°C at 760 mmHg

Form: Liquid

Refractive Index: n20/D 1.526(lit.)

Stability: Moisture Sensitive

Storage: Inert atmosphere;2-8℃;

Complexity: 132

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 10

Hydrogen Bond Acceptor Count: 2

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 2

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 2.6

71:

Literature fold

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

Journal: Analytical chemistry20051101

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

Journal: Bioscience, biotechnology, and biochemistry20041101

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

Journal: Toxicologic pathology20030101

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

Journal: The Journal of organic chemistry20020809

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

Journal: The Journal of organic chemistry20011130

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

Journal: Mutation research20010901

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

Journal: Archives of biochemistry and biophysics20010701

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

Journal: The Journal of pharmacology and experimental therapeutics20010101

3173-56-6 | Benzyl isocyanate