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53676-18-9 molecular structure
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(2,5-dichlorophenoxy)phosphonoyl dichloride

ChemBase ID: 151451
Molecular Formular: C6H3Cl4O2P
Molecular Mass: 279.872581
Monoisotopic Mass: 277.86247669
SMILES and InChIs

SMILES:
c1cc(c(cc1Cl)OP(=O)(Cl)Cl)Cl
Canonical SMILES:
Clc1ccc(c(c1)OP(=O)(Cl)Cl)Cl
InChI:
InChI=1S/C6H3Cl4O2P/c7-4-1-2-5(8)6(3-4)12-13(9,10)11/h1-3H
InChIKey:
LYUNTJUPGQYMJD-UHFFFAOYSA-N

Cite this record

CBID:151451 http://www.chembase.cn/molecule-151451.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2,5-dichlorophenoxy)phosphonoyl dichloride
IUPAC Traditional name
2,5-dichlorophenoxyphosphonoyl dichloride
Synonyms
2,5-Dichlorophenyl dichlorophosphate
2,5-Dichlorophenyl phosphorodichloridate
2,5-二氯苯二氯磷酸酯
2,5-二氯苯基二氯膦
CAS Number
53676-18-9
EC Number
258-694-8
MDL Number
MFCD00010194
Beilstein Number
2118289
PubChem SID
24857340
162245604
PubChem CID
104561

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
288446 external link Add to cart Please log in.
Data Source Data ID
PubChem 104561 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.7546973  LogD (pH = 7.4) 3.7546973 
Log P 3.7546973  Molar Refractivity 55.6648 cm3
Polarizability 22.164762 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)
Melting Point
36-38 °C(lit.) expand Show data source
Boiling Point
141 °C/9 mmHg(lit.) expand Show data source
Flash Point
113 °C expand Show data source
235.4 °F expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3261 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
34-37 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
GHS Precautionary statements
P280-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 3261 8/PG 2 expand Show data source
Purity
97% expand Show data source
Linear Formula
Cl2P(O)OC6H3Cl2 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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