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(R)-(+)-α-Methylbenzyl isocyanate

Name: (<I>R</I>)-(+)-α-Methylbenzyl isocyanate
Brand: SIAL
Price: 195 USD
Availability: InStock

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

Synonym(s):

(R)-(+)-1-Phenylethyl isocyanate

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1 mL	Estimated to ship onJanuary 05, 2027fromMILWAUKEE	$195.00

About This Item

Linear Formula:

C₆H₅CH(CH₃)NCO

CAS Number:

33375-06-3

Molecular Weight:

147.17

UNSPSC Code:

23151817

NACRES:

NA.22

PubChem Substance ID:

329768059

EC Number:

251-485-2

Beilstein/REAXYS Number:

3196930

MDL number:

MFCD00063015

Assay:

≥99.0% (sum of enantiomers, GC), ≥99.0%

Form:

liquid

$195.00

Estimated to ship onJanuary 05, 2027Details

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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, LC/MS: suitable, ion chromatography: suitable

refractive index

n20/D 1.513

bp

55-56 °C/2.5 mmHg (lit.)

density

1.045 g/mL at 20 °C (lit.), 1.046 g/mL at 20 °C

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-/m1/s1

InChI key

JJSCUXAFAJEQGB-MRVPVSSYSA-N

Description

General description

(R)-(+)-a-Methylbenzyl isocyanate [(R)-(+)-MBIC] is a derivatizing agent.

Application

(R)-(+)-MBIC has been used in derivatization of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol to form 4-(methylnitrosamino)-1-(a-methylbenzylcarbamoyl)-1-(3-pyridyl)butane. It has also been used in isolating hydroxyl acid, converting it to Methyl-4-[(S)-a-methylbenzylcarbamoyl]-4-(3-pyridyl)- butanoate which was further analysed by LC-MS/MS.1 It reacts with hydrate hydrochloride ketoaniline to yield hemiaminal, 3-((1R)-1-Phenylethyl)-(4S)-6-chloro-4-hydroxy-4-(trifluoromethyl)-1,3,4-trihydroquinazolin-2-one.

Other Notes

Reagent used for the determination of the enantiomeric purity of alcohols and amines

Discover LiChropur reagents ideal for HPLC or LC-MS analysis

Legal Information

LiChropur is a trademark of Merck KGaA, Darmstadt, Germany

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Show Differences

1 of 1

This Item	220574	77879	77880
Supelco 77968 (R)-(+)-α-Methylbenzyl isocyanate	Sigma-Aldrich 220574 (R)-(+)-α-Methylbenzyl isocyanate	Supelco 77879 (R)-(+)-α-Methylbenzylamine	Sigma-Aldrich 77880 (R)-(+)-α-Methylbenzylamine
description derivatization grade (chiral), LiChropur^™, ≥99.0%	description 99%	description derivatization grade (chiral), LiChropur^™, ≥99.0%	description purum, ≥98.0% (sum of enantiomers, GC)
assay ≥99.0% (sum of enantiomers, GC)	assay 99%	assay ≥99.0% (sum of enantiomers, GC)	assay ≥98.0% (sum of enantiomers, GC)
Quality Level 100	Quality Level 200	Quality Level 100	Quality Level 200
bp 55-56 °C/2.5 mmHg (lit.)	bp 55-56 °C/2.5 mmHg (lit.)	bp 187-189 °C (lit.)	bp 187-189 °C (lit.)
refractive index n20/D 1.513	refractive index n20/D 1.513 (lit.)	refractive index n20/D 1.528, n20/D 1.526 (lit.)	refractive index n20/D 1.526 (lit.), n20/D 1.528
form liquid	form liquid	form liquid	form liquid
storage temp. 2-8°C	storage temp. 2-8°C	storage temp. 2-8°C	storage temp. -

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Pictograms

GHS06,GHS08

Signal Word

Danger

Hazard Codes

H315,H317,H319,H330,H334,H335

Precautionary Statements

P260 - P264 - P280 - P302 + P352 - P304 + P340 + P310 - P305 + P351 + P338

Hazard Classifications

Acute Tox. 2 Inhalation - 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 (personal protective equipment)

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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