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829-84-5 molecular structure
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dicyclohexylphosphane

ChemBase ID: 111693
Molecular Formular: C12H23P
Molecular Mass: 198.284781
Monoisotopic Mass: 198.15373737
SMILES and InChIs

SMILES:
C1CCC(CC1)PC1CCCCC1
Canonical SMILES:
C1CCC(CC1)PC1CCCCC1
InChI:
InChI=1S/C12H23P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2
InChIKey:
HDULBKVLSJEMGN-UHFFFAOYSA-N

Cite this record

CBID:111693 http://www.chembase.cn/molecule-111693.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dicyclohexylphosphane
IUPAC Traditional name
dicyclohexylphosphane
Synonyms
DICYCLOHEXYLPHOSPHINE
Cy2PH
Dicyclohexylphosphine
二环己基膦
CAS Number
829-84-5
EC Number
212-590-9
MDL Number
MFCD00014296
PubChem SID
24884807
162096802
PubChem CID
13239

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 13239 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1893134  LogD (pH = 7.4) 3.200059 
Log P 3.2002  Molar Refractivity 59.3234 cm3
Polarizability 24.111364 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
129 °C/8 mmHg expand Show data source
129°C expand Show data source
Flash Point
2 °C expand Show data source
35.6 °F expand Show data source
Density
0.98 g/ml expand Show data source
Refractive Index
n20/D 1.516 expand Show data source
Ligand For
Suzuki-Miyaura Coupling expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
2845 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
4.2 expand Show data source
Packing Group
1 expand Show data source
Risk Statements
17-23/24/25-36-38 expand Show data source
Safety Statements
17-26-36/37/39-45 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H250-H301 + H311 + H331-H319 expand Show data source
GHS Precautionary statements
P210-P222-P231-P261-P280-P422 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 2845 4.2/PG 1 expand Show data source
Storage Temperature
20-25°C expand Show data source
Purity
97% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
(C6H11)2PH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05220424 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 666572 external link
Packaging
5, 25 g in ampule

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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