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Benzyl isocyanate

CAS No.3173-56-6
Chemical Name:Benzyl isocyanate
CBNumber:CB1714526
Molecular Formula:C8H7NO
Formula Weight:133.15
MOL File:3173-56-6.mol

Benzyl isocyanate Property

Melting point 259-261 °C(Solv: acetic acid (64-19-7))
Boiling point 101-104 °C/33 mmHg (lit.)
Density 1.078 g/mL at 25 °C (lit.)
refractive index n20/D 1.526(lit.)
Flash point 113 °F
storage temp. Inert atmosphere,2-8°C
solubility Chloroform (Slightly), Methanol (Slightly)
form Liquid
color Clear colorless to faintly yellow
Water Solubility It hydrolyzes with water.
Sensitive Moisture Sensitive
BRN 636508
CAS DataBase Reference 3173-56-6(CAS DataBase Reference)
FDA UNII 8I2LI357GQ
NIST Chemistry Reference Benzyl isocyanate(3173-56-6)
UNSPSC Code 12352100
NACRES NA.22

Safety

Hazard Codes :Xn,T
Risk Statements :10-36/37/38-42/43-23/24/25
Safety Statements :23-26-36/37-36/37/39-16
RIDADR :UN 3080 6.1/PG 2
WGK Germany :3
F :10-21
HazardClass :6.1
PackingGroup :II
HS Code :29291090

NFPA 704:

	2
3		0

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal wordDanger
Hazard statements H226-H315-H317-H319-H334-H335
Precautionary statements P210-P233-P240-P280-P303+P361+P353-P305+P351+P338

Benzyl isocyanate Price More Price(7)

Brand: Sigma-Aldrich(India)
Product number: 227269
Product name : Benzyl isocyanate
Purity: 99%
Packaging: 5G
Price: ₹4741.35
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: 227269
Product name : Benzyl isocyanate
Purity: 99%
Packaging: 25G
Price: ₹13379.7
Updated: 2022/06/14
Buy: Buy

Brand: TCI Chemicals (India)
Product number: I0426
Product name : Benzyl Isocyanate
Purity: min. 99.0 %
Packaging: 5G
Price: ₹4600
Updated: 2022/05/26
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Brand: ALFA India
Product number: ALF-L02633-14
Product name : Benzyl isocyanate, 98%
Purity:
Packaging: 25g
Price: ₹12137
Updated: 2022/05/26
Buy: Buy

Brand: TCI Chemicals (India)
Product number: I0426
Product name : Benzyl Isocyanate
Purity: min. 99.0 %
Packaging: 25G
Price: ₹12000
Updated: 2022/05/26
Buy: Buy

Benzyl isocyanate Chemical Properties,Usage,Production

Chemical Properties CLEAR COLOURLESS TO FAINTLY YELLOW LIQUID
Occurrence benzyl isocyanate is a natural product found in Simicratea welwitschii with data available.?
Uses Benzyl isocyanate was used to investigate the kinetics of isocyanate derivatization reaction in a continuous flow glass microfluidics chip. It was also used in a multicomponent, stereospecific synthesis of 1,3-oxazinane-2,4-diones employing an Al-salph complex (674699).
Uses Benzyl isocyanate, is used as a protected ammonia equivalent in the stereo selective ring-opening of chiral 2,3-epoxy alcohols (from Sharpless asymmetric epoxidation). The key step in the sequence involves intramolecular cyclization of the carbamate intermediate. It is also used in a multicomponent, stereospecific synthesis of 1,3-oxazinane-2,4-diones employing an Al-salph complex.
General Description Benzyl isocyanate inhibits the formation of benzo[a]pyrene (BP)-DNA adduct and posses chemopreventive properties.
Synthesis The conversion of benzyl azide to benzyl isocyanate (Scheme 1) was selected as the model reaction and it was performed both under conventional conditions and under MW irradiation. Various solvents were compared at a number of temperatures thanks to the versatility of the SynthWave reactor, which provides multiple-sample racks. Experiments were performed at 90, 70 and 50 °C at 14.5 bar of CO2 pressure.

Scheme 1: Synthesis of benzyl isocyanate.
One-pot sequential synthesis of isocyanates and urea derivatives via a microwave-assisted Staudinger–aza-Wittig reaction