(1-Isocyanatoethyl)benzene

Names

[ Name ]:
(1-Isocyanatoethyl)benzene

[Synonym ]:
Benzene, (1-isocyanatoethyl)-
(S)-(-)-alpha-Methylbenzyl isocyanate
(S)-(-)-1-Phenylethyl isocyanate
(S)-(−)-1-Phenylethyl isocyanate
Isocyanic Acid (S)-(-)-1-Phenylethyl Ester
Isocyanic Acid (S)-(-)-α-Methylbenzyl Ester
(S)-(-)-α-Methylbenzyl isocyanate
Benzene, (1-isocyanatoethyl)-, (S)-
(1-Isocyanatoethyl)benzene
[(1S)-1-Isocyanatoethyl]benzene
Benzene, [(1S)-1-isocyanatoethyl]-
EINECS 238-698-6
MFCD00002036

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
204.1±19.0 °C at 760 mmHg

[ Molecular Formula ]:
C₉H₉NO

[ Molecular Weight ]:
147.174

[ Flash Point ]:
65.6±0.0 °C

[ Exact Mass ]:
147.068420

[ PSA ]:
29.43000

[ LogP ]:
2.95

[ Vapour Pressure ]:
0.3±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.515

MSDS

Click to get detail MSDS

Safety Information

[ Symbol ]:

GHS06, GHS08

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H315-H319-H330-H334-H335

[ Precautionary Statements ]:
P260-P284-P305 + P351 + P338-P310

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R36/37/38;R42

[ Safety Phrases ]:
S23-S26-S36

[ RIDADR ]:
UN 2206

[ WGK Germany ]:
3

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2929109000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2929109000

[ Summary ]:
2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles

High-performance liquid chromatographic determination of the enantiomers of beta-adrenoceptor blocking agents in biological fluids. II. Studies with atenolol.

J. Chromatogr. A. 489(2) , 438-45, (1989)

Derivatization of (+/-)-5-[(2-methylphenoxy)methyl]-2-amino-2-oxazoline, an imidazoline binding sites ligand, with (+)-(R)-alpha-methylbenzyl isocyanate for drug monitoring purposes.

J. Enzyme Inhib. Med. Chem. 17(6) , 375-9, (2002)

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....