Basic information
- CAS
1832-53-7- Standard SMILES
CCOP(C)(=O)O- InChIKey
UFZOPKFMKMAWLU-UHFFFAOYSA-N- Molecular formula
- C3.H9.O3.P
- Average molar mass
- 124.08 g/mol
- Monoisotopic mass
- 124.02893114
Overview
urinary sarin metabolite
Names & identifiers
- Preferred name
- Ethyl methylphosphonate
- IUPAC
- ethoxy(methyl)phosphinic acid
- English name
- Ethyl methylphosphonic acid
- Molecular formula
- C3H9O3P
- Molecular weight
- 124.08
Names & synonyms
Ethyl methylphosphonate1832-53-7Ethyl methylphosphonic acidEthyl hydrogen methylphosphonatePhosphonic acid, methyl-, monoethyl esterDTXSID00862761921S33S5Y5RefChem:596269DTXCID10811482624-251-6ethoxy(methyl)phosphinic acidMFCD00192159
Show more names
EMPAVX ACIDVX acid solutiono-Ethyl methylphosphoric acidMethylphosphonic acid ethyl esterEthyl methylphosphonic acid solution
Monoethyl methylphosphonatePhosphonic acid, methyl-, ethyl esterMethyl-phosphonic acid monoethyl esterO-ETHYLMETHYLPHOSPHONIC ACID ESTER GROUPUNII-921S33S5Y5Ethyl methylphosphonate; Phosphonic acid, methyl-, monoethyl ester; Phosphonic acid, methyl-, ethyl ester;EMPA [MI]SCHEMBL93840
Database identifiers
- CAS
1832-53-7- PubChem CID
- 449085
- DTXSID
DTXSID00862761- UNII
- 921S33S5Y5
- EC Number
- 624-251-6
- Nikkaji
- J472.717G
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 90.2
Experimental & physicochemical properties
Chemical ClassesToxic Gases & Vapors -> Chemical Weapons
SpringerMaterials PropertiesOptical coefficient
Density1.172 @25 °C
Vapor Pressure0.01 [mmHg]
Physical DescriptionLiquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Boiling point
- 106 · 106-107 °C
- Density
- 1.172 g/mL · 1.172 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.426(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- -20 °C · -20°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- pka
- 2.31 · 2.31±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryA skin and strong eye irritant; Toxic by ingestion; [Sigma-Aldrich MSDS] See Sarin and VX.
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety & protection
Protective Action Criteria (PAC)
12 [mg/m3]
130 [mg/m3]
790 [mg/m3]
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 2810 6.1/PG 3
- risk_code
- 25-36/37/38-39/23/24/25-23/24/25-11
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T,F
- safety_code
- 26-36-45-36/37-16
Chemistry & industry
Uses & manufacturing
UsesA degradation product of VX (chemical warfare agent); Used to detect VX; [Merck Index] Urinary metabolite of sarin; [ChemIDplus]
Applications
UsesEMPA is a novel high-affinity, selective antagonist for the OX2 receptor.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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