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928-64-3 molecular structure
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hexylphosphonoyl dichloride

ChemBase ID: 151239
Molecular Formular: C6H13Cl2OP
Molecular Mass: 203.046581
Monoisotopic Mass: 202.00810703
SMILES and InChIs

SMILES:
CCCCCCP(=O)(Cl)Cl
Canonical SMILES:
CCCCCCP(=O)(Cl)Cl
InChI:
InChI=1S/C6H13Cl2OP/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3
InChIKey:
GZXBQDURAKBNAZ-UHFFFAOYSA-N

Cite this record

CBID:151239 http://www.chembase.cn/molecule-151239.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
hexylphosphonoyl dichloride
IUPAC Traditional name
hexylphosphonoyl dichloride
Synonyms
Hexylphosphonic dichloride
己基二氯化膦
CAS Number
928-64-3
MDL Number
MFCD00010386
PubChem SID
162245395
24858443
PubChem CID
2734136

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
305626 external link Add to cart Please log in.
Data Source Data ID
PubChem 2734136 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8725882  LogD (pH = 7.4) 2.8725882 
Log P 2.8725882  Molar Refractivity 47.5208 cm3
Polarizability 18.889395 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
114-121 °C/16 mmHg(lit.) expand Show data source
Flash Point
113 °C expand Show data source
235.4 °F expand Show data source
Density
1.185 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.465(lit.) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3265 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
20/21/22-34 expand Show data source
Safety Statements
26-27-28-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H312-H314-H332 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 3265 8/PG 2 expand Show data source
Purity
95% expand Show data source
Linear Formula
CH3(CH2)5P(O)Cl2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 305626 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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