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Merck
CN

376930

2,6-Diisopropylphenyl isocyanate

97%

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About This Item

Linear Formula:
[(CH3)2CH]2C6H3NCO
CAS Number:
28178-42-9
Molecular Weight:
203.28
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24863479
EC Number:
248-885-4
Beilstein/REAXYS Number:
2645721
MDL number:
MFCD00008882
Assay:
97%
Form:
liquid

Key Documents

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InChI key

FEUFNKALUGDEMQ-UHFFFAOYSA-N

InChI

1S/C13H17NO/c1-9(2)11-6-5-7-12(10(3)4)13(11)14-8-15/h5-7,9-10H,1-4H3

SMILES string

CC(C)c1cccc(C(C)C)c1N=C=O

assay

97%

form

liquid

Gene Information

human ... GABRA1(2554)

bp

117 °C/10 mmHg (lit.)

density

0.951 g/mL at 25 °C (lit.)

functional group

isocyanate

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General description

Reaction of the complex trans-(PMe3)2Pd(Ph)(NHPh) with 2,6-diisopropylphenyl isocyanate has been reported.

Application

2,6-Diisopropylphenyl isocyanate may be used in the preparation of:
  • mono- and dinuclear methylrhenium(VII) imido complexes
  • [2]rotaxane
  • 2,6-diisopropylphenyl-carbodiimide

signalword

Danger

Hazard Classifications

Acute Tox. 1 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1 - Resp. Sens. 1 - Skin Corr. 1B - STOT SE 3

target_organs

Respiratory system

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 2

flash_point_f

224.6 °F - closed cup

flash_point_c

107 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCM0745
03413TH
15105PS
11122AS
02316JS

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Multiple bonds between transition metals and main-group elements. 72. Organorhenium imido complexes: syntheses, structure, and reactivity.
Herrmann WA, et al.
Organometallics, 9(2), 489-496 (1990)
Synthesis of 2, 6-Diisopropylphenyl-Carbodiimide.
Ye D-Y and Dai J-Y.
He Cheng Hua Xue / Chinese Journal of Synthetic Chemistry, 14(2), 200-200 (2006)
Reactions of unsaturated electrophiles with trans-(PMe3)2 Pd (Ph)(NHPh).
Boncella JM and Villanueva LA.
Journal of Organometallic Chemistry, 465(1), 297-304 (1994)
A new protocol for rotaxane synthesis.
Cantrill SJ, et al.
Tetrahedron Letters, 40(19), 3669-3672 (1999)

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