Skip to Content
Merck
All Photos(1)

Documents

252336

Sigma-Aldrich

2,6-Dimethylphenyl isocyanate

99%

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
(CH3)2C6H3NCO
CAS Number:
28556-81-2
Molecular Weight:
147.17
MDL number:
MFCD00002012
UNSPSC Code:
12352100
PubChem Substance ID:
24855201
NACRES:
NA.22

Assay

99%

form

liquid

refractive index

n20/D 1.5356 (lit.)

bp

87-89 °C/12 mmHg (lit.)

density

1.057 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

Cc1cccc(C)c1N=C=O

InChI

1S/C9H9NO/c1-7-4-3-5-8(2)9(7)10-6-11/h3-5H,1-2H3

InChI key

YQLRKXVEALTVCZ-UHFFFAOYSA-N

Application

2,6-Dimethylphenyl isocyanate has been used in the preparation of:
  • derivatized β-cyclodextrins, used as chiral stationary phase in normal-phase liquid chromatography
  • tris( 2,6-dimethylphenylimido)methylrhenium (VII)
  • 1-(2-isopropylphenyl)-3-(2,6-dimethylphenyl)urea

Pictograms

Health hazardExclamation mark
GHS08,GHS07

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

188.6 °F - closed cup

Flash Point(C)

87 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Jonathan Clayden et al.
Organic & biomolecular chemistry, 6(16), 2908-2913 (2008-08-09)
Except in the most hindered of cases, N,N'-diaryl N,N'-dimethyl ureas adopt a conformation with the two aryl rings disposed cis to one another. Variable temperature NMR studies reveal the rate at which the Ar-N bonds rotate as well as the
Derivatized cyclodextrins for normal-phase liquid chromatographic separation of enantiomers.
Armstrong DW, et al.
Analytical Chemistry, 62(15), 1610-1615 (1990)
Selective substitution of an imido ligand in alkyl-and aryl-imido rhenium (VII) complexes; crystal structures of (2, 6-dimethylphenyl) ammonium trichlorobis (2, 6-dimethylphenyl-imido) methylrhenate (VII) and bis (2, 6-dimethylphenylimido) methylbis (neopentyl) rhenium (VII).
Cook MR, et al.
J. Chem. Soc., Dalton Trans., 797-804 (1991)

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service