91095

Sigma-Aldrich

Trichloroacetyl isocyanate

purum, ≥97.0% (GC)

Linear Formula:
Cl3CCONCO
CAS Number:
Molecular Weight:
188.40
Beilstein/REAXYS Number:
971201
EC Number:
MDL number:
PubChem Substance ID:

Quality Level

grade

purum

assay

≥97.0% (GC)

refractive index

n20/D 1.480 (lit.)
n20/D 1.480

bp

80-85 °C/20 mmHg (lit.)

density

1.581 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

ClC(Cl)(Cl)C(=O)N=C=O

InChI

1S/C3Cl3NO2/c4-3(5,6)2(9)7-1-8

InChI key

GRNOZCCBOFGDCL-UHFFFAOYSA-N

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Related Categories

Other Notes

Derivatizing reagent for the structural assignment to hydroxy compounds by NMR; Used in negative ion chemical ionization mass spectrometry

Signal Word

Danger

hazcat

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Eye Dam. 1 - Resp. Sens. 1 - Skin Corr. 1B - Skin Sens. 1

Supp Hazards

EUH014

storage_class_code

6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK Germany

WGK 3

Flash Point(F)

150.8 °F - closed cup

Flash Point(C)

66 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

Certificate of Analysis

Certificate of Origin

M. Budesinsky et al.
Collection of Czechoslovak Chemical Communications, 45, 2784-2784 (1980)
H. Fujiwara et al.
Pract. Spectrosc., 3, 329-329 (1980)
Determination of chain branching in epoxy resins by nuclear magnetic resonance spectrometry.
H D Mak et al.
Analytical chemistry, 44(4), 837-839 (1972-04-01)
D.R. Taylor
Canadian Journal of Chemistry, 54, 189-189 (1976)
Ian Paterson et al.
Angewandte Chemie (International ed. in English), 53(10), 2692-2695 (2014-02-01)
Leiodermatolide is an antimitotic macrolide isolated from the marine sponge Leiodermatium sp. whose potentially novel tubulin-targeting mechanism of action makes it an exciting lead for anticancer drug discovery. In pursuit of a sustainable supply, we report a highly stereocontrolled total...

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