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56-38-2 molecular structure
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ethyl 4-nitrophenyl ethoxy(sulfanylidene)phosphonite

ChemBase ID: 128825
Molecular Formular: C10H14NO5PS
Molecular Mass: 291.260621
Monoisotopic Mass: 291.03303018
SMILES and InChIs

SMILES:
S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC
Canonical SMILES:
CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC
InChI:
InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
InChIKey:
LCCNCVORNKJIRZ-UHFFFAOYSA-N

Cite this record

CBID:128825 http://www.chembase.cn/molecule-128825.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 4-nitrophenyl ethoxy(sulfanylidene)phosphonite
IUPAC Traditional name
vitrex
Synonyms
Parathion-ethyl solution
Parathion solution
E605
Parathion
Ethylparathione
O,O-Diethyl O-(4-nitrophenyl) phosphorothioate
Parathion-ethyl
Parathion
乙基对硫磷 溶液
对硫磷 溶液
O,O-二乙基 O-(4-硝基苯基)硫代磷酸酯
乙基对硫磷
对硫磷
CAS Number
56-38-2
EC Number
200-271-7
MDL Number
MFCD00036219
Beilstein Number
8912188
PubChem SID
24869345
24869108
24872582
162223129
PubChem CID
991
CHEBI ID
27928
CHEMBL
261919
Chemspider ID
13844817
KEGG ID
C06604
Unique Ingredient Identifier
61G466064D
Wikipedia Title
Parathion

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.3152065  LogD (pH = 7.4) 3.3152065 
Log P 3.3152065  Molar Refractivity 72.6892 cm3
Polarizability 28.365414 Å3 Polar Surface Area 73.51 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
24 mg/L in water expand Show data source
high solubilityin xylene and butanol expand Show data source
Apperance
White crystals (pure form) expand Show data source
Melting Point
6°C expand Show data source
Flash Point
-.4 °F expand Show data source
120 °C expand Show data source
-18 °C expand Show data source
248 °F expand Show data source
RTECS
TF4550000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
Highly toxic Highly toxic (T+) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1145 expand Show data source
3278 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
3 expand Show data source
Hazard Class
3 expand Show data source
6.1 expand Show data source
Packing Group
1 expand Show data source
2 expand Show data source
Risk Statements
11-38-50/53-65-67 expand Show data source
24-26/28-48/25-50/53 expand Show data source
R24, R26/28, R48/25, R50/53 expand Show data source
Safety Statements
16-61-62 expand Show data source
28-36/37-45-60-61 expand Show data source
S28, S36/37, S45, S60, S61 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H304-H315-H336-H410 expand Show data source
H300-H311-H330-H372-H410 expand Show data source
GHS Precautionary statements
P210-P261-P273-P301 + P310-P331-P501 expand Show data source
P260-P264-P273-P280-P284-P301 + P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1145 3/PG 2 expand Show data source
UN 3278 6.1/PG 1 expand Show data source
Storage Temperature
2-8°C expand Show data source
Concentration
100 ng/μL in cyclohexane expand Show data source
Grade
analytical standard expand Show data source
PESTANAL®, analytical standard expand Show data source
Packaging
ampule of 500 mg expand Show data source
Empirical Formula (Hill Notation)
C10H14NO5PS expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 45607 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH
Sigma Aldrich - 45890 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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