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38260-54-7 molecular structure
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6-ethoxy-2-ethylpyrimidin-4-yl methyl methoxy(sulfanylidene)phosphonite

ChemBase ID: 158107
Molecular Formular: C10H17N2O4PS
Molecular Mass: 292.291741
Monoisotopic Mass: 292.06466466
SMILES and InChIs

SMILES:
CCc1nc(cc(n1)OP(=S)(OC)OC)OCC
Canonical SMILES:
CCOc1cc(nc(n1)CC)OP(=S)(OC)OC
InChI:
InChI=1S/C10H17N2O4PS/c1-5-8-11-9(15-6-2)7-10(12-8)16-17(18,13-3)14-4/h7H,5-6H2,1-4H3
InChIKey:
FGIWFCGDPUIBEZ-UHFFFAOYSA-N

Cite this record

CBID:158107 http://www.chembase.cn/molecule-158107.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-ethoxy-2-ethylpyrimidin-4-yl methyl methoxy(sulfanylidene)phosphonite
IUPAC Traditional name
etrimfos
Synonyms
O-(6-Ethoxy-2-ethyl-4-pyrimidinyl) O,O-dimethyl thiophosphate
Etrimfos
O-(6-乙氧基-2-乙基-4-嘧啶基) O,O-硫代磷酸二甲酯
乙嘧硫磷
CAS Number
38260-54-7
EC Number
253-855-9
MDL Number
MFCD00055516
Beilstein Number
7136389
PubChem SID
24868974
162252243
PubChem CID
37995

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
45481 external link Add to cart Please log in.
Data Source Data ID
PubChem 37995 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.5339177  LogD (pH = 7.4) 3.535163 
Log P 3.535179  Molar Refractivity 73.6217 cm3
Polarizability 29.000504 Å3 Polar Surface Area 62.7 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
>100 °C expand Show data source
>212 °F expand Show data source
RTECS
TF8350000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
3082 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
22-50/53 expand Show data source
Safety Statements
60-61 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H410 expand Show data source
GHS Precautionary statements
P273-P501 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 3082 9/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Grade
PESTANAL®, analytical standard expand Show data source
Description
technical mixture expand Show data source
Empirical Formula (Hill Notation)
C10H17N2O4PS expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 45481 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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