(S)-(-)-alpha-Methylbenzyl isocyanate, 98%

Description

CAS: 14649-03-7 | C₉H₉NO | 147.18 g/mol

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

Chiral derivatization reagent

Specifications

Chemical Identifiers

• CAS: 14649-03-7
• Molecular Formula: C₉H₉NO
• Molecular Weight (g/mol): 147.18
• 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

• CAS Min %: 97.5
• CAS Max %: 100.0
• Color: Colorless to Yellow
• Density: 1.0500g/mL
• Boiling Point: 55.0°C to 56.0°C (2.5 mmHg)
• Flash Point: 65°C
• Infrared Spectrum: Authentic
• Assay Percent Range: 97.5% min. (GC)
• Packaging: Glass bottle
• Refractive Index: 1.5130 to 1.5150
• Linear Formula: C₆H₅CH(CH₃)NCO
• Quantity: 5 mL
• Specific Gravity: 1.05
• Specific Rotation Condition: −10° (20°C neat)
• Specific Rotation: − 10.00
• Solubility Information: Solubility in water: decomposes
• Formula Weight: 147.18
• Percent Purity: 98%
• Physical Form: Liquid
• Chemical Name or Material: (S)-(-)-α-Methylbenzyl isocyanate, 98%

Safety and Handling

Hazard Category	GHS Signal Word: Danger
Hazard Statement	GHS H Statement: Causes serious eye irritation. Fatal if inhaled. Causes skin irritation. May cause respiratory irritation.
Precautionary Statement	GHS P Statement: Immediately call a POISON CENTER or doctor/physician. IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing. Avoid breathing dust/fume/gas/mist/vapors/spray. IF ON SKIN: Wash with plenty of soap and water. Wear protective gloves/protective clothing/eye protection/face protection. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. WARNING: The information provided on this web site was developed in compliance with European Union (EU) regulations and is correct to the best of our knowledge, information and belief at the date of its publication. The information given is designed only as a guide for safe handling and use. It is not to be considered as either a warranty or quality specification.
EINECSNumber	238-698-6
TSCA	TSCA

SDS

RUO – Research Use Only