Benzyl isocyanate, 98%, Thermo Scientific Chemicals

Product Code	Brand	Quantity
11317775	Thermo Scientific Alfa Aesar L02633.03	1 g
11327775	Thermo Scientific Alfa Aesar L02633.06	5 g
11337775	Thermo Scientific Alfa Aesar L02633.14	25 g

Description

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.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
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.

Solubility
It hydrolyzes with water.

Notes
Moisture & heat Sensitive. Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Keep away from alcohols, amines.

Chemical Identifiers

• CAS: 3173-56-6
• Molecular Weight (g/mol): 133.15
• InChI Key: YDNLNVZZTACNJX-UHFFFAOYSA-N
• PubChem CID: 76639
• SMILES: O=C=NCC1=CC=CC=C1

• Molecular Formula: C8H7NO
• MDL Number: MFCD00009701
• Synonym: benzyl isocyanate, isocyanatomethyl benzene, benzylisocyanate, isocyanic acid benzyl ester, benzene, isocyanatomethyl, 1-isocyanatomethyl benzene, phenylmethyl isocyanate, unii-8i2li357gq, phenylmethanisocyanate
• IUPAC Name: isocyanatomethylbenzene

Specifications

• CAS: 3173-56-6
• Boiling Point: 53°C to 54°C (0.8 mmHg)
• Odor: Pungent
• Linear Formula: C₆H₅CH₂NCO
• MDL Number: MFCD00009701
• Beilstein: 636508
• Synonym: benzyl isocyanate, isocyanatomethyl benzene, benzylisocyanate, isocyanic acid benzyl ester, benzene, isocyanatomethyl, 1-isocyanatomethyl benzene, phenylmethyl isocyanate, unii-8i2li357gq, phenylmethanisocyanate
• InChI Key: YDNLNVZZTACNJX-UHFFFAOYSA-N
• IUPAC Name: isocyanatomethylbenzene
• PubChem CID: 76639
• Percent Purity: 98%

• Density: 1.078
• Flash Point: 43°C (109°F)
• Molecular Formula: C8H7NO
• Refractive Index: 1.525
• UN Number: UN3080
• Sensitivity: Moisture sensitive
• Solubility Information: It hydrolyzes with water.
• SMILES: O=C=NCC1=CC=CC=C1
• Molecular Weight (g/mol): 133.15
• Formula Weight: 133.15
• Chemical Name or Material: Benzyl isocyanate

Safety and Handling

GHS H Statement
H301-H330-H334-H226-H315-H319-H335
Toxic if swallowed.
Fatal if inhaled.
May cause allergy or asthma symptoms or breathing difficulties if inhaled.
Flammable liquid and vapor.
Causes skin irritation.
Causes serious eye irritation.
May cause respiratory irritation.

P210-P233-P235-P240-P241-P242-P243-P261-P264b-P270-P271-P272-P280-P285-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P311-P312-P330-P333+P313-P363-P370+P378q-P501c

H226-H301+H311+H331-H315-H317-H319-H334-H335

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missing translation for 'tsca' : No

Recommended Storage : Keep cold

RUO – Research Use Only