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Merck
CN

369780

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
UNSPSC Code:
12352100
PubChem Substance ID:
24863042
MDL number:
MFCD00075544

Key Documents

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InChI

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

SMILES string

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

InChI key

BSCBJDQIQBYMBT-UHFFFAOYSA-N

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.)

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.

signalword

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

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

118.4 °F - closed cup

flash_point_c

48 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
26098LJ
09523DR
14404EI
13931AI
13015BO

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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
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

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