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685-83-6 molecular structure
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[chloro(diethylamino)phosphanyl]diethylamine

ChemBase ID: 151886
Molecular Formular: C8H20ClN2P
Molecular Mass: 210.684561
Monoisotopic Mass: 210.10526296
SMILES and InChIs

SMILES:
CCN(CC)P(N(CC)CC)Cl
Canonical SMILES:
CCN(P(N(CC)CC)Cl)CC
InChI:
InChI=1S/C8H20ClN2P/c1-5-10(6-2)12(9)11(7-3)8-4/h5-8H2,1-4H3
InChIKey:
JVEHJSIFWIIFHM-UHFFFAOYSA-N

Cite this record

CBID:151886 http://www.chembase.cn/molecule-151886.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[chloro(diethylamino)phosphanyl]diethylamine
IUPAC Traditional name
[chloro(diethylamino)phosphanyl]diethylamine
Synonyms
Bis(diethylamino)chlorophosphine
Bis(diethylamino)phosphorochloridite
Chlorobis(diethylamino)phosphine
双(二乙基氨基)氯膦
CAS Number
685-83-6
MDL Number
MFCD00015493
PubChem SID
24862321
162246032
PubChem CID
2733351

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2733351 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.610051  LogD (pH = 7.4) 1.9060477 
Log P 1.9117  Molar Refractivity 59.7535 cm3
Polarizability 23.06342 Å3 Polar Surface Area 6.48 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
55-57 °C/0.2 mmHg(lit.) expand Show data source
55-57°C/0.2mm expand Show data source
Flash Point
101 °C expand Show data source
101°C(214°F) expand Show data source
213.8 °F expand Show data source
Density
1.002 expand Show data source
1.002 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.4895(lit.) expand Show data source
Storage Warning
Air & Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3265 expand Show data source
UN3265 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
II expand Show data source
Risk Statements
14-34 expand Show data source
Safety Statements
23-26-36-36/37/39-45 expand Show data source
26-36/37/39-45 expand Show data source
TSCA Listed
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
H314-H318 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
P280-P305+P351+P338-P309-P310-P402 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
Supplemental Hazard Statements
Reacts violently with water. expand Show data source
Purity
94% expand Show data source
97% expand Show data source
Linear Formula
[(C2H5)2N]2PCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 362565 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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