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226491

Sigma-Aldrich

1,1,3,3-Tetramethylbutyl isocyanide

greener alternative

technical grade

Synonym(s):
tert-Octyl isocyanide, Walborsky’s reagent
Linear Formula:
(CH3)3CCH2C(CH3)2NC
CAS Number:
Molecular Weight:
139.24
Beilstein:
2076559
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

grade

technical grade

Quality Level

greener alternative product score

old score: 5
new score: 3
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greener alternative product characteristics

Safer Solvents and Auxiliaries
Design for Energy Efficiency
Design for Degradation
Learn more about the Principles of Green Chemistry.

refractive index

n20/D 1.422 (lit.)

bp

55-57 °C/11 mmHg (lit.)

density

0.794 g/mL at 25 °C (lit.)

greener alternative category

storage temp.

2-8°C

SMILES string

CC(C)(C)CC(C)(C)[N+]#[C-]

InChI

1S/C9H17N/c1-8(2,3)7-9(4,5)10-6/h7H2,1-5H3

InChI key

YVPXQMYCTGCWBE-UHFFFAOYSA-N

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Application

1,1,3,3-Tetramethylbutyl isocyanide was used in the synthesis of substituted furans and imides.

Packaging

5 g in glass bottle

Pictograms

Flame

Signal Word

Warning

Hazard Statements

Precautionary Statements

Hazard Classifications

Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

125.6 °F - closed cup

Flash Point(C)

52 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificate of Analysis

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Certificate of Origin

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