Basic information
- CAS
950-35-6- Standard SMILES
COP(=O)(OC)Oc1ccc([N+](=O)[O-])cc1- InChIKey
BAFQDKPJKOLXFZ-UHFFFAOYSA-N- Molecular formula
- C8H10NO6P
- Average molar mass
- 247.14 g/mol
- Monoisotopic mass
- 247.02457404
Overview
Paraoxon-methyl is a C-nitro compound.
Names & identifiers
- Preferred name
- Paraoxon methyl
- IUPAC
- dimethyl (4-nitrophenyl) phosphate
- English name
- DIMETHYL-P-NITROPHENYLPHOSPHATE
- Molecular formula
- C8H10NO6P
- Molecular weight
- 247.14
Names & synonyms
Methylparaoxon950-35-6Paraoxon methylDimethyl-p-nitrophenyl phosphateDTXSID5037571UE1A2XL95HPhosphoric acid, dimethyl-4-nitrophenyl esterDimethyl p-Nitrophenyl phosphateDTXCID3017571MEE 600RefChem:158283625-061-6
Show more names
dimethyl-4-nitrophenylphosphatebay11678Methyl-E 600methyl-e-600Paraoxon-Methydimethylparaoxon
Paraoxon-methylMETHYL PARAOXONDimethyl paraoxonDesmethylnitrophosDimethyl 4-nitrophenyl phosphatedimethyl (4-nitrophenyl) phosphateBAY 11678Phosphoric acid, dimethyl p-nitrophenyl ester
Database identifiers
- CAS
950-35-6- PubChem CID
- 13708
- DTXSID
DTXSID5037571- ChEMBL
CHEMBL26115- ChEBI
CHEBI:165199- UNII
- UE1A2XL95H
- EC Number
- 625-061-6
- Nikkaji
- J7.185D
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 275
Experimental & physicochemical properties
PesticidesPesticide degradation product
LogP1.33
Human DrugsPharmaceuticals
Physicochemical properties
- Melting point
- 0 · 0-4 °C
- Boiling point
- 164 °C · 164 °C(Press: 10 Torr)
- Density
- 1.383 · 1.383±0.06 g/cm3(Predicted)
- refractive index
- 20 · n20/D 1.523
- Flash point
- 100 °C · 100 °C
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- color
- Pale Yellow to Light Yellow
- BRN
- 1884904 · 1884904
- Henry's Law Constant
- 1.1 · 1.1×104 mol/(m3Pa) at 25℃, Woodrow et al. (1990)
- Major Application
- agricultureenvironmental
- InChI
- 1S/C8H10NO6P/c1-13-16(12,14-2)15-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3
- InChIKey
- BAFQDKPJKOLXFZ-UHFFFAOYSA-N
- SMILES
- COP(=O)(OC)Oc1ccc(cc1)[N+]([O-])=O
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 1 A2XL95H · UE1A2XL95H
- EPA Substance Registry System
- Methyl paraoxon (950-35-6)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 6 · GHS06,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 300 · H300+H310+H330-H372-H410
- Precautionary statements
- 262 · P262-P264-P273-P280-P302+P352+P310-P304+P340+P310
- target organs
- Nervous system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- T+
- Risk Statements
- 28 · 28
- Safety Statements
- 28 · 28-36/37-45
- RIDADR
- 3018 · 3018
- WGK Germany
- 3 · 3
- RTECS
- 5250000 · TC5250000
- HazardClass
- 6.1 · 6.1(a)
- PackingGroup
- I
- Storage Class
- 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- 1 DermalAcute · Acute Tox. 1 DermalAcute Tox. 1 InhalationAcute Tox. 1 OralAquatic Acute 1Aquatic Chronic 1STOT RE 1
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
This chemical does not meet GHS hazard criteria for 2.4% (1 of 42) of reports.
Danger
H300 (97.6%): Fatal if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 1 (97.6%)
Safety & protection
Acute Exposure Guideline Levels (AEGLs)The compound is currently at the Holding Status AEGLs which have been reviewed by the NAC/AEGL Committee and are on hold due to insufficient data to develop AEGL values.
AEGLs NotesAEGLs Status: Holding
Toxicology
USGS Health-Based Screening Levels for Evaluating Water-Quality
Paraoxon-methyl
Pesticide degradation product
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- TC5250000
- ridadr
- 3018
- risk_code
- 28
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08,GHS09
- hazard_code
- T+
- safety_code
- 28-36/37-45
- hazard_class
- 6.1(a)
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- packing_group
- I
- target organs
- Nervous system
- Hazard statements
- H300+H310+H330-H372-H410
- Hazard Classifications
- Acute Tox. 1 DermalAcute Tox. 1 InhalationAcute Tox. 1 OralAquatic Acute 1Aquatic Chronic 1STOT RE 1
- Precautionary statements
- P262-P264-P273-P280-P302+P352+P310-P304+P340+P310
Chemistry & industry
Uses & manufacturing
Use ClassificationPharmaceuticals
Applications
UsesMethylparaoxon is used in esterase detoxication of acetylcholinesterase inhibitor pesticides using human liver samples in vitro.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: Paraoxon-methyl is a C-nitro compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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