Home > Compound List > Compound details
13716-10-4 molecular structure
click picture or here to close

di-tert-butyl(chloro)phosphane

ChemBase ID: 148992
Molecular Formular: C8H18ClP
Molecular Mass: 180.655281
Monoisotopic Mass: 180.08346489
SMILES and InChIs

SMILES:
CC(C)(C)P(C(C)(C)C)Cl
Canonical SMILES:
ClP(C(C)(C)C)C(C)(C)C
InChI:
InChI=1S/C8H18ClP/c1-7(2,3)10(9)8(4,5)6/h1-6H3
InChIKey:
MCRSZLVSRGTMIH-UHFFFAOYSA-N

Cite this record

CBID:148992 http://www.chembase.cn/molecule-148992.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
di-tert-butyl(chloro)phosphane
IUPAC Traditional name
di-tert-butyl(chloro)phosphane
Synonyms
Di-tert-butylchlorophosphine
Chlorodi-tert-butylphosphine
二叔丁基氯化膦
氯亚磷酸二叔丁酯
CAS Number
13716-10-4
MDL Number
MFCD00008815
PubChem SID
24858196
162243162
PubChem CID
139566

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 139566 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4429553  LogD (pH = 7.4) 2.443098 
Log P 2.4431  Molar Refractivity 50.3409 cm3
Polarizability 19.996899 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
47-49°C/3mm expand Show data source
48 °C/3 mmHg(lit.) expand Show data source
Flash Point
143.6 °F expand Show data source
62 °C expand Show data source
62°C(144°F) expand Show data source
Density
0.951 expand Show data source
0.951 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.482 expand Show data source
n20/D 1.482(lit.) expand Show data source
Ligand For
Suzuki-Miyaura Coupling 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
34 expand Show data source
Safety Statements
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-H227 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
P280-P305+P351+P338-P309-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
96% expand Show data source
Linear Formula
[(CH3)3C]2PCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 301558 external link
Application
Bulky ligand used with Pd(OAc)2 in efficient Suzuki-Miyaura cross-couplings of arylboronic acids with aryl bromides and chlorides.1
Packaging
1, 5 g in glass bottle
25, 100 g in Sure/Seal™

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle