DIETHOXYPHOSPHINYL ISOCYANATE

Modify Date: 2026-07-09 15:19:14

DIETHOXYPHOSPHINYL ISOCYANATE Structure
DIETHOXYPHOSPHINYL ISOCYANATE structure
Common Name DIETHOXYPHOSPHINYL ISOCYANATE
CAS Number 20039-33-2 Molecular Weight 179.11100
Density 1.24g/cm3 Boiling Point 212.7ºC at 760mmHg
Molecular Formula C5H10NO4P Melting Point N/A
MSDS Chinese USA Flash Point 48.3ºC
Symbol GHS02 GHS07
GHS02, GHS07
Signal Word Warning

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name Diethyl isocyanatidophosphate
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.24g/cm3
Boiling Point 212.7ºC at 760mmHg
Molecular Formula C5H10NO4P
Molecular Weight 179.11100
Flash Point 48.3ºC
Exact Mass 179.03500
PSA 74.77000
LogP 1.50330
Vapour Pressure 0.248mmHg at 25°C
Index of Refraction n20/D 1.416(lit.)
InChIKey BSCBJDQIQBYMBT-UHFFFAOYSA-N
SMILES CCOP(=O)(N=C=O)OCC

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TD1250000
CHEMICAL NAME :
Phosphorisocyanatidic acid, diethyl ester
CAS REGISTRY NUMBER :
20039-33-2
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C5-H10-N-O4-P
MOLECULAR WEIGHT :
179.13

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
4080 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EESADV Ecotoxicology and Environmental Safety. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1977- Volume(issue)/page/year: 17,258,1989

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol GHS02 GHS07
GHS02, GHS07
Signal Word Warning
Hazard Statements H226-H312-H315-H319-H332-H335
Precautionary Statements P261-P280-P305 + P351 + P338
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xn: Harmful;
Risk Phrases 10-20/21/22-36/37/38
Safety Phrases 16-23-26-28-36/37/39
RIDADR UN 3080 6.1/PG 2
RTECS TD1250000
Packaging Group III
Hazard Class 3.2
HS Code 2931900090

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

~65%

DIETHOXYPHOSPHINYL ISOCYANATE Structure

DIETHOXYPHOSPHI...

CAS#:20039-33-2

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Literature: Zwierzak, Andrzej; Pilichowska, Slawomira Synthesis, 1982 , # 11 p. 922 - 924

~70%

DIETHOXYPHOSPHINYL ISOCYANATE Structure

DIETHOXYPHOSPHI...

CAS#:20039-33-2

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Literature: Moll, Rainer; Jentzsch, Renate; Fischer, Gerhard W. Journal fuer Praktische Chemie (Leipzig), 1990 , vol. 332, # 4 p. 439 - 443

~%

DIETHOXYPHOSPHINYL ISOCYANATE Structure

DIETHOXYPHOSPHI...

CAS#:20039-33-2

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Literature: J. Gen. Chem. USSR (Engl. Transl.), , vol. 40, p. 754 - 758,730 - 733

~%

DIETHOXYPHOSPHINYL ISOCYANATE Structure

DIETHOXYPHOSPHI...

CAS#:20039-33-2

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Literature: J. Gen. Chem. USSR (Engl. Transl.), , vol. 40, p. 758 - 766,734 - 741

~17%

DIETHOXYPHOSPHINYL ISOCYANATE Structure

DIETHOXYPHOSPHI...

CAS#:20039-33-2

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Literature: J. Gen. Chem. USSR (Engl. Transl.), , vol. 58, # 12 p. 2766 - 2771,2462 - 2466

~81%

DIETHOXYPHOSPHINYL ISOCYANATE Structure

DIETHOXYPHOSPHI...

CAS#:20039-33-2

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Literature: Mielniczak; Lopusinski Polish Journal of Chemistry, 2000 , vol. 74, # 6 p. 785 - 791

~%

DIETHOXYPHOSPHINYL ISOCYANATE Structure

DIETHOXYPHOSPHI...

CAS#:20039-33-2

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Literature: Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), , vol. 22, p. 592 - 594 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, , vol. 22, p. 618 - 621

~%

DIETHOXYPHOSPHINYL ISOCYANATE Structure

DIETHOXYPHOSPHI...

CAS#:20039-33-2

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Literature: Zhurnal Organicheskoi Khimii, , vol. 7, p. 1541,1596

~%

DIETHOXYPHOSPHINYL ISOCYANATE Structure

DIETHOXYPHOSPHI...

CAS#:20039-33-2

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Literature: Journal of Organic Chemistry USSR (English Translation), , vol. 12, p. 1917 - 1919 Zhurnal Organicheskoi Khimii, , vol. 12, p. 1963 - 1966

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2931900090
Summary 2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

 Articles3

More Articles

This table lists relevant public references with title, journal and publication metadata for this compound.

Blood pool ventriculography with a new technetium-labelled complex (99mTc-DEPIC): a clinical evaluation.

Eur. J. Nucl. Med. 16(11) , 795-9, (1990)

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 = ...

Investigations on the acute toxic, cytogenetic, and embryotoxic activity of phenyl isocyanate and diethoxyphosphoryl isocyanate.

Ecotoxicol. Environ. Saf. 17(2) , 258-63, (1989)

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 d...

Isocyanate compounds as electrolyte additives for lithium-ion batteries. Korepp C, et al.

J. Power Sources 174(2) , 387-93, (2007)

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

DIETHOXYPHOSPHINYL ISOCYANATE
Diethyl phosphorisocyanatidate
MFCD00075544

 DIETHOXYPHOSPHINYL ISOCYANATE | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the SMILES notation of Diethyl isocyanatidophosphate?
A: SMILES notation of Diethyl isocyanatidophosphate is CCOP(=O)(N=C=O)OCC.
Q: What is the InChIKey of Diethyl isocyanatidophosphate?
A: InChIKey of Diethyl isocyanatidophosphate is BSCBJDQIQBYMBT-UHFFFAOYSA-N.
Q: What is the molecular formula of Diethyl isocyanatidophosphate?
A: Molecular formula of Diethyl isocyanatidophosphate is C5H10NO4P.
Q: What is the LogP of Diethyl isocyanatidophosphate?
A: LogP of Diethyl isocyanatidophosphate is 1.50330.
Q: What is the molecular weight of Diethyl isocyanatidophosphate?
A: Molecular weight of Diethyl isocyanatidophosphate is 179.11100.
Q: What is the safety information for Diethyl isocyanatidophosphate?
A: Safety information for Diethyl isocyanatidophosphate: 16-23-26-28-36/37/39.
Q: What are the downstream products of Diethyl isocyanatidophosphate?
A: Related downstream products(CAS) of Diethyl isocyanatidophosphate: 85232-02-6.
Q: What is the CAS number of Diethyl isocyanatidophosphate?
A: CAS number of Diethyl isocyanatidophosphate is 20039-33-2.
Q: What are the upstream materials of Diethyl isocyanatidophosphate?
A: Related upstream materials(CAS) of Diethyl isocyanatidophosphate: 79-37-8;1068-21-9;3135-78-2;75-44-5;31334-44-8;287411-39-6;6185-96-2;18368-11-1;61351-37-9.
Q: What is the English name of Diethyl isocyanatidophosphate?
A: The English name of Diethyl isocyanatidophosphate is Diethyl isocyanatidophosphate.

 DIETHOXYPHOSPHINYL ISOCYANATEfactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
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