Diethyl isocyanomethylphosphonate

异腈甲基磷酸二乙酯

Also known as: Diethoxyphosphinylmethyl isocyanide, Diethyl (isocyanomethyl)phosphonate, Isocyanomethylphosphonic acid diethyl ester, 1-[ethoxy(isocyanomethyl)phosphoryl]oxyethane, MFCD00042951, Diethyl isocyanomethylphosphonate 97%

Diethyl isocyanomethylphosphonate (CAS 41003-94-5) is a compound in the Organic Acids category listed in the Jingsj chemical database. It has the molecular formula C6H12NO3P and a molecular weight of 177.13800 g/mol. It is also known as Diethoxyphosphinylmethyl isocyanide, Diethyl (isocyanomethyl)phosphonate and Isocyanomethylphosphonic acid diethyl ester. Key properties include a boiling point of 84-87ºC0.1 mm Hg(lit.), a density of 1.105 g/mL at 25ºC(lit.) and a flash point of >230 °F. It is classified under GHS with signal word Warning and hazard statements H302 — Harmful if swallowed, H312 — Harmful in contact with skin and H332 — Harmful if inhaled. No supplier offers are currently listed; request a quote. Record last updated Aug 21, 2026.

CAS No.
41003-94-5
Jingsj CID
J-40101-6
Molecular Formula
C6H12NO3P
Chinese Name
异腈甲基磷酸二乙酯
Molecular Weight
177.13800 g/mol
Category
Organic Acids
Last updated
8/21/2026

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Physicochemical Properties

Boiling Point84-87ºC0.1 mm Hg(lit.)
Density1.105 g/mL at 25ºC(lit.)
Flash Point>230 °F
Exact Mass177.05500
PSA45.34000
LogP1.36000
AppearanceLiquid | Clear colorless to yellow
Refractive Indexn20/D 1.433(lit.)

GHS Safety & Compliance

IrritantSignal word: Warning
  • H302 — Harmful if swallowed
  • H312 — Harmful in contact with skin
  • H332 — Harmful if inhaled
  • H315 — Causes skin irritation
  • H319 — Causes serious eye irritation
  • H335 — May cause respiratory irritation

Customs & Trade Information

HS Code2931900090
Summary2931900090. 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%

Frequently Asked Questions

What is the CAS number of Diethyl isocyanomethylphosphonate?

The CAS number of Diethyl isocyanomethylphosphonate is 41003-94-5.

What are the molecular formula and molecular weight of Diethyl isocyanomethylphosphonate?

Diethyl isocyanomethylphosphonate has molecular formula C6H12NO3P and molecular weight 177.13800 g/mol.

Is Diethyl isocyanomethylphosphonate hazardous?

Diethyl isocyanomethylphosphonate has GHS signal word Warning and hazard statements H302 — Harmful if swallowed; H312 — Harmful in contact with skin; H332 — Harmful if inhaled.

Data compiled from public chemical databases and supplier catalogs; supplier offers are provided by suppliers.

Last updated:

How to cite: Jingsj. "Diethyl isocyanomethylphosphonate (CAS 41003-94-5)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-40101-6 (accessed 2026-10-28).

Data for reference only; verify specifications, grades and regulatory status with suppliers before purchase.