(S)-(-)-α-Methylbenzyl isocyanate, 98%, Thermo Scientific Chemicals

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

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%

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

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