(R)-(+)-alpha-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

33375-06-3

Molecular Formula

C₉H₉NO

Molecular Weight (g/mol)

147.18

MDL Number

MFCD00063015

InChI Key

JJSCUXAFAJEQGB-MRVPVSSYSA-N

Synonym

r-+-1-phenylethyl isocyanate, 1r-1-isocyanatoethyl benzene, r-+-alpha-methylbenzyl isocyanate, benzene, 1r-1-isocyanatoethyl, isocyanic acid r-+-1-phenylethyl ester, isocyanic acid r-+-alpha-methylbenzyl ester, isocyanic acid-r-+-methylbenzyl ester, 1-isocyanatoethyl benzene #, +-alpha-methylbenzyl isocyanate, pubchem8096

PubChem CID

7018262

IUPAC Name

[(1R)-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

210.0°C to 211.0°C

Flash Point

65°C

Infrared Spectrum

Authentic

Assay Percent Range

97.5% min. (GC)

Packaging

Glass bottle

Refractive Index

1.5114 to 1.5134

Linear Formula

C₆H₅CH(CH₃)NCO

Quantity

5 mL

Fieser

15,256

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

(R)-(+)-α-Methylbenzyl isocyanate, 98%

Hazard Category

GHS Signal Word: Danger

Hazard Statement

GHS H Statement
Causes serious eye irritation.
Causes skin irritation.
Fatal if inhaled.
May cause respiratory irritation.
May cause allergy or asthma symptoms or breathing difficulties if inhaled.

Precautionary Statement

GHS P Statement
IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing.
Immediately call a POISON CENTER or doctor/physician.
Wash face,hands and any exposed skin thoroughly after handling.
If skin

EINECSNumber

251-485-2

SDS

Hazard Category

GHS Signal Word: Danger

Hazard Statement

GHS H Statement
Causes serious eye irritation.
Causes skin irritation.
Fatal if inhaled.
May cause respiratory irritation.
May cause allergy or asthma symptoms or breathing difficulties if inhaled.

Precautionary Statement

GHS P Statement
IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing.
Immediately call a POISON CENTER or doctor/physician.
Wash face,hands and any exposed skin thoroughly after handling.
If skin

EINECSNumber

251-485-2

SDS

RUO – Research Use Only