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390100

Sigma-Aldrich

3,5-Dimethylphenyl isocyanate

99%

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About This Item

Linear Formula:
(CH3)2C6H3NCO
CAS Number:
54132-75-1
Molecular Weight:
147.17
EC Number:
258-987-0
MDL number:
MFCD00013868
UNSPSC Code:
12352100
PubChem Substance ID:
24864316
NACRES:
NA.22

vapor pressure

0.2 psi ( 20 °C)

Assay

99%

form

liquid

refractive index

n20/D 1.528 (lit.)

density

1.045 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

Cc1cc(C)cc(c1)N=C=O

InChI

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

InChI key

DZSGDHNHQAJZCO-UHFFFAOYSA-N

Related Categories

Application

Uses include linking with oligosaccharides and cyclodextrins for chiral chromatography stationary phases.

Pictograms

Exclamation markHealth hazard
GHS07,GHS08

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)

183.2 °F - closed cup

Flash Point(C)

84 °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’.

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Bulletin of the Chemical Society of Japan, 63, 3606-3606 (1990)
Qi Wu et al.
Journal of chromatography. A, 1600, 209-218 (2019-05-03)
Graphene quantum dots (GQD) functionalized β-cyclodextrin (β-CD) and cellulose silica composites were first prepared and applied in HPLC as chiral stationary phases (CSP) to investigate the effect of GQDs on chiral separation. Through comparing the enantioseparation performance of GQDs functionalized
Mingxuan Ma et al.
Journal of chromatographic science, 55(8), 839-845 (2017-05-16)
A new type of partially substituted 3,5-dimethylphenylcarbamate-(3-(2-O-β-cyclodextrin)-2-hydroxypropoxy)-propylsilyl-appended silica particles (MP-CD-HPS) have been prepared by a convenient post-immobilization derivazition procedure. The MP-CD-HPS has been successfully used as chiral stationary phase (CSP) for high-performance liquid chromatography (HPLC) under normal phase, reversed phase
Akiyuki Ryoki et al.
Journal of chromatography. A, 1599, 144-151 (2019-04-21)
Coated-type chiral stationary phases (CSPs) for high-performance liquid chromatography (HPLC) were prepared from three cyclic amylose tris(3,5-dimethylphenylcarbamate) (cADMPC) samples, of which weight-average molar mass (Mw) ranges from 19 to 91 kg mol-1, and from three linear ADMPC samples ranging in Mw
Mariana Silva et al.
Journal of chromatography. A, 1490, 166-176 (2017-02-17)
In this paper a chiral stationary phase (CSP) was prepared by the immobilization of a β-CD derivative (3,5-dimethylphenylcarbamoylated β-CD) onto the surface of amino-functionalized spherical ordered mesoporous silica (denoted as SM) via a urea linkage using the Staudinger reaction. The

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