77970

(S)-(−)-α-Methylbenzyl isocyanate

derivatization grade (chiral), LiChropur^™, ≥99.0%

• Synonym(s): (S)-(−)-1-Phenylethyl isocyanate
• Linear Formula: C₆H₅CH(CH₃)NCO
• CAS Number: 14649-03-7
• Molecular Weight: 147.17
• UNSPSC Code: 23151817
• NACRES: NA.22
• PubChem Substance ID: 329768061
• EC Number: 238-698-6
• Beilstein/REAXYS Number: 4230972
• MDL number: MFCD00002036
• Assay: ≥99.0% (sum of enantiomers, GC), ≥99.0%
• Form: liquid

Properties

• grade: derivatization grade (chiral)
• Quality Segment: 100
• assay: ≥99.0% (sum of enantiomers, GC), ≥99.0%
• form: liquid
• optical activity: [α]20/D −10.5±0.5°, neat
• optical purity: enantiomeric ratio: ≥99.5:0.5 (GC)
• quality: LiChropur^™
• technique(s): HPLC: suitable
• refractive index: n20/D 1.513, n20/D 1.5145 (lit.)
• bp: 55-56 °C/2.5 mmHg (lit.)
• density: 1.045 g/mL at 20 °C (lit.)
• storage temp.: 2-8°C
• SMILES string: C[C@H](N=C=O)c1ccccc1
• InChI: 1S/C9H9NO/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3/t8-/m0/s1
• InChI key: JJSCUXAFAJEQGB-QMMMGPOBSA-N

Description

General description

(S)-(−)-α-Methylbenzyl isocyanate is a useful chiral derivatization reagent for all gas chromatography (GC) applications in the chiral field. It has been employed to meet the requirements for derivatization reagents for enantiomeric excess determinations.

Other Notes

Discover LiChropur reagents ideal for HPLC or LC-MS analysis

Legal Information

LiChropur is a trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• pictograms: GHS06,GHS08
• signalword: Danger
• hcodes: H315,H317,H319,H330,H334,H335,H412
• pcodes: P260 - P273 - P280 - P302 + P352 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 2 Inhalation - Aquatic Chronic 3 - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• wgk: WGK 3
• flash_point_f: 149.0 °F - closed cup
• flash_point_c: 65 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter