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Merck
CN

77970

(S)-(-)-α-甲基苄基异氰酸酯

derivatization grade (chiral), LiChropur, ≥99.0%

别名:

(S)-(-)-1-苯乙基异氰酸酯

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关于此项目

线性分子式:
C6H5CH(CH3)NCO
化学文摘社编号:
分子量:
147.17
MDL number:
UNSPSC Code:
23151817
NACRES:
NA.22
PubChem Substance ID:
EC Number:
238-698-6
Beilstein/REAXYS Number:
4230972
Assay:
≥99.0% (sum of enantiomers, GC), ≥99.0%
Form:
liquid
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InChI key

JJSCUXAFAJEQGB-QMMMGPOBSA-N

InChI

1S/C9H9NO/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3/t8-/m0/s1

SMILES string

C[C@H](N=C=O)c1ccccc1

grade

derivatization grade (chiral)

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

Quality Level

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General description

(S)-(−)-α-甲基苄基异氰酸酯是一种有用的手性衍生化试剂,可用于手性领域的所有气相色谱(GC)应用。已将其用于满足对映体过量测定的衍生化试剂的要求。

Other Notes

探索最适于HPLCLC-MS 分析的LiChropur试剂

Legal Information

LiChropur is a trademark of Merck KGaA, Darmstadt, Germany

pictograms

Skull and crossbonesHealth hazard

signalword

Danger

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

存储类别

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


历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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High-performance liquid chromatographic determination of the enantiomers of beta-adrenoceptor blocking agents in biological fluids. II. Studies with atenolol.
S K Chin et al.
Journal of chromatography, 489(2), 438-445 (1989-04-14)
Myriam Matoga et al.
Journal of enzyme inhibition and medicinal chemistry, 17(6), 375-379 (2003-04-10)
The derivatization of racemic 5-[(2-methylphenoxy)methyl]-2-amino-2-oxazoline, developed as an imidazoline binding sites ligand, with (+)-(R)-alpha-methylbenzyl isocyanate was performed in chloroform. The reaction led to two pairs of diastereomers, which were separated by RP-HPLC. A kinetic study of the derivatization reaction was

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