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4125-25-1 molecular structure
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tris(2-methylpropyl)phosphane

ChemBase ID: 156532
Molecular Formular: C12H27P
Molecular Mass: 202.316541
Monoisotopic Mass: 202.18503749
SMILES and InChIs

SMILES:
CC(C)CP(CC(C)C)CC(C)C
Canonical SMILES:
CC(CP(CC(C)C)CC(C)C)C
InChI:
InChI=1S/C12H27P/c1-10(2)7-13(8-11(3)4)9-12(5)6/h10-12H,7-9H2,1-6H3
InChIKey:
DAGQYUCAQQEEJD-UHFFFAOYSA-N

Cite this record

CBID:156532 http://www.chembase.cn/molecule-156532.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tris(2-methylpropyl)phosphane
IUPAC Traditional name
tris(2-methylpropyl)phosphane
Synonyms
Cytop® 341
Tris(2-methylpropyl)phosphine
Triisobutylphosphine
三(2-甲基丙基)膦
三异丁基膦烷
CAS Number
4125-25-1
EC Number
223-934-2
MDL Number
MFCD00015049
Beilstein Number
1738664
PubChem SID
24867400
162250669
PubChem CID
107228

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
43784 external link Add to cart Please log in.
Data Source Data ID
PubChem 107228 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.5782938  LogD (pH = 7.4) 3.5808644 
Log P 4.379  Molar Refractivity 68.0376 cm3
Polarizability 25.590317 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
126 °C/50 mmHg(lit.) expand Show data source
Flash Point
10 °C expand Show data source
50 °F expand Show data source
Density
0.811 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.451(lit.) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
UN Number
2845 expand Show data source
MSDS Link
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
17-20/21/22-34 expand Show data source
Safety Statements
16-23-26-36/37/39-45 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H250-H302-H312-H314-H332 expand Show data source
GHS Precautionary statements
P210-P222-P231-P280-P305 + P351 + P338-P422 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 2845 4.2/PG 1 expand Show data source
Purity
≥90% (GC) expand Show data source
Linear Formula
[(CH3)2CHCH2]3P expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 43784 external link
Legal Information
Cytop is a registered trademark of Cytec Technology Corp.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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