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594-09-2 molecular structure
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trimethylphosphane

ChemBase ID: 130013
Molecular Formular: C3H9P
Molecular Mass: 76.077321
Monoisotopic Mass: 76.04418692
SMILES and InChIs

SMILES:
CP(C)C
Canonical SMILES:
CP(C)C
InChI:
InChI=1S/C3H9P/c1-4(2)3/h1-3H3
InChIKey:
YWWDBCBWQNCYNR-UHFFFAOYSA-N

Cite this record

CBID:130013 http://www.chembase.cn/molecule-130013.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
trimethylphosphane
IUPAC Systematic name
Trimethylphosphane (substitutive)
Trimethylphosphorus (additive)
IUPAC Traditional name
trimethylphosphine
Synonyms
Methyl phosphine
Trimethylphosphine
PMe3
Trimethylphosphorus
Trimethylphosphine solution
Trimethylphosphine
三甲基膦
三甲基膦 溶液
CAS Number
594-09-2
EC Number
209-823-1
MDL Number
MFCD00008510
Beilstein Number
969138
PubChem SID
24859423
24859357
162224299
24859424
PubChem CID
68983
CHEBI ID
35890
Chemspider ID
62205
MeSH Name
trimethyl+phosphine
Wikipedia Title
Trimethylphosphine

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.16065453  LogD (pH = 7.4) 0.37712818 
Log P 1.0598  Molar Refractivity 26.6574 cm3
Polarizability 8.9757395 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)
Apperance
Colorless liquid expand Show data source
Liquid, Ampouled under argon expand Show data source
Melting Point
-86 °C(lit.) expand Show data source
-86°C expand Show data source
Boiling Point
38 - 39°C expand Show data source
38-40 °C(lit.) expand Show data source
38-40°C expand Show data source
Flash Point
-19 °C expand Show data source
-19°C (-2.2°F) expand Show data source
-2.2 °F expand Show data source
-20 °C expand Show data source
-22 °F expand Show data source
-30 °C expand Show data source
-30°C(-22°F) expand Show data source
-4 °F expand Show data source
Density
0.735 expand Show data source
0.738 g/mL at 20 °C(lit.) expand Show data source
0.854 g/mL at 25 °C expand Show data source
0.872 g/mL at 25 °C expand Show data source
735 mg cm-3 expand Show data source
Refractive Index
n20/D 1.428(lit.) expand Show data source
Vapor Pressure
49.9 kPa (at 20 °C) expand Show data source
7.24 psi ( 20 °C) expand Show data source
Ligand For
Mitsunobu Reaction expand Show data source
Wittig Reaction expand Show data source
Storage Warning
Air & Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1993 expand Show data source
UN2845 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
4.2 expand Show data source
Packing Group
2 expand Show data source
I expand Show data source
Risk Statements
11-19-36/37 expand Show data source
11-36/37/38 expand Show data source
11-38-48/20-63-65-67 expand Show data source
17-34 expand Show data source
63-11-38-48/20-65-67 expand Show data source
R11, R36/37/38 expand Show data source
Safety Statements
16-26 expand Show data source
16-36/37-62 expand Show data source
26-36/37/39-45 expand Show data source
36/37-62 expand Show data source
9-16-26-36/37/39 expand Show data source
S9, S16, S26, S36/37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS exclamation mark expand Show data source
GHS flame expand Show data source
GHS02 expand Show data source
GHS05 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
DANGER expand Show data source
Danger expand Show data source
GHS Hazard statements
225, 315, 319, 335 expand Show data source
H225-H250-H252-H314-H318 expand Show data source
H225-H304-H315-H336-H361d-H373 expand Show data source
H225-H315-H319-H335 expand Show data source
GHS Precautionary statements
210, 261, 305+351+338 expand Show data source
P210-P261-P281-P301 + P310-P331 expand Show data source
P210-P261-P305 + P351 + P338 expand Show data source
P210-P303+P361+P353-P305+P351+P338-P405-P422A-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US) expand Show data source
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 1993 3/PG 2 expand Show data source
Supplemental Hazard Statements
May form explosive peroxides. expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥95.0% (GC) expand Show data source
97% expand Show data source
99% expand Show data source
Concentration
~1 M in THF expand Show data source
~1 M in toluene expand Show data source
1.0 M in THF expand Show data source
1.0 M in toluene expand Show data source
Grade
purum expand Show data source
Linear Formula
(CH3)3P expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 323322 external link
Application
Electron-rich phosphine ligand used in numerous applications such as cross-coupling reactions.
Reagent used in Mitsunobu reaction; transformation of azides into carbamates, aziridines from azidoalcohols; iminophosphoranes and aza-Wittig reaction.
Packaging
25 g in Sure/Seal™
Sigma Aldrich - 324116 external link
Application
Reagent used in Mitsunobu reaction; transformation of azides into carbamates, aziridines from azidoalcohols; iminophosphoranes and aza-Wittig reaction.
Packaging
100 mL in Sure/Seal™
Sigma Aldrich - 324108 external link
Application
Reagent used in Mitsunobu reaction; transformation of azides into carbamates, aziridines from azidoalcohols; iminophosphoranes and aza-Wittig reaction.
Packaging
100 mL in Sure/Seal™
Sigma Aldrich - 92725 external link
Other Notes
Widely used ligand in transition metal complexes1

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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