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369780

Sigma-Aldrich

Diethoxyphosphinyl isocyanate

96%

Synonym(s):

Diethyl phosphorisocyanatidate

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About This Item

Linear Formula:
(C2H5O)2P(O)NCO
CAS Number:
20039-33-2
Molecular Weight:
179.11
MDL number:
MFCD00075544
UNSPSC Code:
12352100
PubChem Substance ID:
24863042

Assay

96%

form

liquid

refractive index

n20/D 1.416 (lit.)

bp

85-87 °C/10 mmHg (lit.)

density

1.165 g/mL at 25 °C (lit.)

SMILES string

CCOP(=O)(OCC)N=C=O

InChI

1S/C5H10NO4P/c1-3-9-11(8,6-5-7)10-4-2/h3-4H2,1-2H3

InChI key

BSCBJDQIQBYMBT-UHFFFAOYSA-N

General description

Diethoxyphosphinyl isocyanate is an isocyanate derivative. It has been investigated for its performance as film forming electrolyte additive in propylene carbonate (PC) and EC/EMC-based electrolytes.

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Eye Irrit. 2 - Flam. Liq. 3 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

Target Organs

Respiratory system

WGK

WGK 3

Flash Point(F)

118.4 °F

Flash Point(C)

48 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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M Nehéz et al.
Ecotoxicology and environmental safety, 17(2), 258-263 (1989-04-01)
Phenyl isocyanate (I) and diethoxyphosphoryl isocyanate (II), used as intermediates in organic chemical syntheses, were tested for their acute toxic, cytogenetic, and embryotoxic activity on mice of different strains. The oral LD50 values for male CFLP mice were determined to
Isocyanate compounds as electrolyte additives for lithium-ion batteries.
Korepp C, et al.
Journal of Power Sources, 174(2), 387-393 (2007)
G Brigden et al.
European journal of nuclear medicine, 16(11), 795-799 (1990-01-01)
A new, single bolus method of in vivo blood pool imaging using a technetium Tc99m phosphine isocyanide complex (DEPIC) which binds to pre-albumin was evaluated in volunteers (n = 4) and patients (n = 20). DEPIC was assessed for its

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