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250767

Sigma-Aldrich

Trichloromethyl isocyanate

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About This Item

Linear Formula:
CCl3NCO
CAS Number:
30121-98-3
Molecular Weight:
160.39
MDL number:
MFCD00009979
UNSPSC Code:
12352100
PubChem Substance ID:
24855073

refractive index

n20/D 1.477 (lit.)

bp

119-123 °C (lit.)

density

1.564 g/mL at 25 °C (lit.)

SMILES string

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

InChI

1S/C2Cl3NO/c3-2(4,5)6-1-7

InChI key

OXBFBRZWBIXFGO-UHFFFAOYSA-N

Application

Reactant involved in synthesis of:
  • Trisubstituted alkanoates or lactone derivatives
  • Urea and thiourea derivatives of 15-membered azalides for use as antimalarial chemotherapeutics
Trichloromethyl isocyanate has been used in derivatization of carboxy end functional poly(methylmethacrylate) or amino end function polystyrene (polymers).

Signal Word

Danger

Hazard Classifications

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

Storage Class Code

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

WGK

WGK 3

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Advances in RAFT polymerization: the synthesis of polymers with defined end-groups.
Moad G, et al.
Polymer, 46(19), 8458-8468 (2005)

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