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252336

Sigma-Aldrich

2,6-Dimethylphenyl isocyanate

99%

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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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

252336-BULK:
252336-25G:
252336-5G:
252336-VAR:

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’.

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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
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)
Derivatized cyclodextrins for normal-phase liquid chromatographic separation of enantiomers.
Armstrong DW, et al.
Analytical Chemistry, 62(15), 1610-1615 (1990)

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