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1498-51-7 molecular structure
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ethoxyphosphonoyl dichloride

ChemBase ID: 75019
Molecular Formular: C2H5Cl2O2P
Molecular Mass: 162.939661
Monoisotopic Mass: 161.94042139
SMILES and InChIs

SMILES:
P(=O)(Cl)(Cl)OCC
Canonical SMILES:
CCOP(=O)(Cl)Cl
InChI:
InChI=1S/C2H5Cl2O2P/c1-2-6-7(3,4)5/h2H2,1H3
InChIKey:
YZBOZNXACBQJHI-UHFFFAOYSA-N

Cite this record

CBID:75019 http://www.chembase.cn/molecule-75019.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethoxyphosphonoyl dichloride
IUPAC Traditional name
ethyl phosphorodichloridate
Synonyms
Ethyl phosphorodichloridoate
Ethyl dichlorophosphate
Ethyl phosphorodichloridate
Ethyl dichlorophosphate
乙基磷酰二氯
二氯磷酸乙酯
CAS Number
1498-51-7
EC Number
216-099-0
MDL Number
MFCD00002069
PubChem SID
162039937
24894467
PubChem CID
15158

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 15158 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2454575  LogD (pH = 7.4) 1.2454575 
Log P 1.2454575  Molar Refractivity 31.0262 cm3
Polarizability 12.466118 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
60-65 °C/10 mmHg(lit.) expand Show data source
Flash Point
113 °C expand Show data source
235.4 °F expand Show data source
Density
1.373 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.434(lit.) expand Show data source
Storage Warning
Very Toxic/Corrosive/Moisture Sensitive expand Show data source
RTECS
TD4390000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Highly toxic Highly toxic (T+) expand Show data source
UN Number
3390 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
1 expand Show data source
Risk Statements
26-34 expand Show data source
Safety Statements
26-28-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H314-H330 expand Show data source
GHS Precautionary statements
P260-P280-P284-P301 + P310-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 3390 6.1/PG 1 expand Show data source
Purity
96% expand Show data source
Linear Formula
C2H5OP(O)Cl2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - E23704 external link
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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