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Safety Information

376930

Sigma-Aldrich

2,6-Diisopropylphenyl isocyanate

97%

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About This Item

Linear Formula:
[(CH3)2CH]2C6H3NCO
CAS Number:
Molecular Weight:
203.28
Beilstein:
2645721
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
form:
liquid
Assay:
97%

Assay

97%

form

liquid

refractive index

n20/D 1.519 (lit.)

bp

117 °C/10 mmHg (lit.)

density

0.951 g/mL at 25 °C (lit.)

functional group

isocyanate

SMILES string

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

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

InChI key

FEUFNKALUGDEMQ-UHFFFAOYSA-N

Gene Information

human ... GABRA1(2554)

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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

Signal Word

Danger

Hazard Statements

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 Code

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

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

376930-VAR:
376930-1G:
376930-5G:
376930-BULK:


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A new protocol for rotaxane synthesis.
Cantrill SJ, et al.
Tetrahedron Letters, 40(19), 3669-3672 (1999)
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)
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)

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