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Benzyl isocyanate, 98%, Thermo Scientific Chemicals

$52.41 - $458.37

Chemical Identifiers

CAS 3173-56-6
Molecular Formula C8H7NO
Molecular Weight (g/mol) 133.15
MDL Number MFCD00009701
InChI Key YDNLNVZZTACNJX-UHFFFAOYSA-N
Synonym benzyl isocyanate, isocyanatomethyl benzene, benzylisocyanate, isocyanic acid benzyl ester, benzene, isocyanatomethyl, 1-isocyanatomethyl benzene, phenylmethyl isocyanate, unii-8i2li357gq, phenylmethanisocyanate
PubChem CID 76639
IUPAC Name isocyanatomethylbenzene
SMILES O=C=NCC1=CC=CC=C1
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Products 3
Catalog Number Mfr. No. Quantity Price Quantity  
Catalog Number Mfr. No. Quantity Price Quantity  
AAL0263303
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Thermo Scientific Chemicals
L0263303
1 g N/A
 
AAL0263306
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Thermo Scientific Chemicals
L0263306
5 g N/A
 
AAL0263314
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Thermo Scientific Chemicals
L0263314
25 g N/A
 
Description

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.
Specifications

Chemical Identifiers

3173-56-6
133.15
YDNLNVZZTACNJX-UHFFFAOYSA-N
76639
O=C=NCC1=CC=CC=C1
C8H7NO
MFCD00009701
benzyl isocyanate, isocyanatomethyl benzene, benzylisocyanate, isocyanic acid benzyl ester, benzene, isocyanatomethyl, 1-isocyanatomethyl benzene, phenylmethyl isocyanate, unii-8i2li357gq, phenylmethanisocyanate
isocyanatomethylbenzene

Specifications

3173-56-6
53°C to 54°C (0.8 mmHg)
Pungent
1.525
MFCD00009701
UN3080
Moisture sensitive
It hydrolyzes with water.
O=C=NCC1=CC=CC=C1
133.15
133.15
Benzyl isocyanate
1.078
43°C (109°F)
C8H7NO
C6H5CH2NCO
1 g
636508
benzyl isocyanate, isocyanatomethyl benzene, benzylisocyanate, isocyanic acid benzyl ester, benzene, isocyanatomethyl, 1-isocyanatomethyl benzene, phenylmethyl isocyanate, unii-8i2li357gq, phenylmethanisocyanate
YDNLNVZZTACNJX-UHFFFAOYSA-N
isocyanatomethylbenzene
76639
98%
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Safety and Handling

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

DOTInformation : Transport Hazard Class: 6.1; Packing Group: II; Proper Shipping Name: ISOCYANATES, TOXIC, FLAMMABLE, N.O.S.

EINECSNumber : 221-640-9

TSCA : No

Recommended Storage : Keep cold

SDS
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RUO – Research Use Only