(S)-(-)-1-Phenylethyl isocyanate, 98%

Description

CAS: 14649-03-7 | C9H9NO | 147.177 g/mol

(S)-(-)-1-Phenylethyl isocyanate act by inhibition of cell proliferation and induction of apoptosis. It helps to prevent lung cancer and esophageal cancer. It is a fine chemical intermediate.

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
(S)-(-)-1-Phenylethyl isocyanate act by inhibition of cell proliferation and induction of apoptosis. It helps to prevent lung cancer and esophageal cancer. It is a fine chemical intermediate.

Solubility
Hydrolyzes in water.

Notes
Keep container tightly closed. Store in cool, dry conditions in well sealed containers. Containers which are opened must be carefully resealed and kept upright to prevent leakage. It is sensitive to moisture. Recommended storage temperature is 2 - 8°C.

Specifications

Chemical Identifiers

• CAS: 14649-03-7
• Molecular Formula: C9H9NO
• Molecular Weight (g/mol): 147.177
• MDL Number: MFCD00002036
• InChI Key: JJSCUXAFAJEQGB-QMMMGPOBSA-N
• Synonym: s---1-phenylethyl isocyanate, 1s-1-isocyanatoethyl benzene, s---alpha-methylbenzyl isocyanate, benzene, 1s-1-isocyanatoethyl, isocyanic acid s---a-methylbenzyl ester, s-alpha-methylbenzyl isocyanate, s---1-phenylethylisocyanate, isocyanic acid s---alpha-methylbenzyl ester, isocyanic acid s---methylbenzyl ester, 1-isocyanatoethyl benzene #
• PubChem CID: 2724173
• IUPAC Name: [(1S)-1-isocyanatoethyl]benzene
• SMILES: CC(C1=CC=CC=C1)N=C=O

• Density: 1.045
• Boiling Point: 55°C to 56°C (2.5 mmHg)
• Flash Point: 65°C (149°F)
• Odor: Pungent
• Refractive Index: 1.5145
• Quantity: 1 g
• UN Number: UN2206
• Beilstein: 4230972
• Sensitivity: Moisture sensitive; May form a precipitate
• Solubility Information: Hydrolyzes in water.
• Optical Rotation: −10.5° (Neat)
• Formula Weight: 147.18
• Percent Purity: 98%
• Chemical Name or Material: (S)-(-)-1-Phenylethyl isocyanate

Safety and Handling

Hazard Category	H227-H315-H319-H330-H334-H335
Hazard Statement	GHS H Statement H331-H334-H227-H302-H315-H319-H335 Toxic if inhaled. May cause allergy or asthma symptoms or breathing difficulties if inhaled. Combustible liquid. Harmful if swallowed. Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.
Precautionary Statement	P210-P235-P260-P264b-P271-P280-P284-P285-P302+P352-P304+P340-P305+P351+P338-P310-P312-P332+P313-P362-P370+P378q-P501c
DOTInformation	Hazard Class: 6.1; Packaging Group: II
EINECSNumber	238-698-6
TSCA	No
Recommended Storage	Keep cold

SDS

RUO – Research Use Only