Home > Compound List > Compound details
102-85-2 molecular structure
click picture or here to close

tributyl phosphite

ChemBase ID: 145707
Molecular Formular: C12H27O3P
Molecular Mass: 250.314741
Monoisotopic Mass: 250.16978135
SMILES and InChIs

SMILES:
CCCCOP(OCCCC)OCCCC
Canonical SMILES:
CCCCOP(OCCCC)OCCCC
InChI:
InChI=1S/C12H27O3P/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h4-12H2,1-3H3
InChIKey:
XTTGYFREQJCEML-UHFFFAOYSA-N

Cite this record

CBID:145707 http://www.chembase.cn/molecule-145707.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tributyl phosphite
IUPAC Traditional name
tributyl phosphite
Synonyms
Tributyl phosphite
Tri-n-butyl phosphite
亚磷酸三丁酯
亚磷酸三正丁酯
CAS Number
102-85-2
EC Number
203-061-3
MDL Number
MFCD00009437
Beilstein Number
1703866
PubChem SID
162239910
24862021
PubChem CID
7623

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 7623 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.5280986  LogD (pH = 7.4) 4.5281 
Log P 4.5281  Molar Refractivity 69.5975 cm3
Polarizability 27.632677 Å3 Polar Surface Area 27.69 Å2
Rotatable Bonds 12  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-80°C expand Show data source
Boiling Point
118-125 °C/7 mmHg(lit.) expand Show data source
125-128°C/10mm expand Show data source
Flash Point
208.4 °F expand Show data source
82°C(179°F) expand Show data source
98 °C expand Show data source
Density
0.915 expand Show data source
0.925 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4320 expand Show data source
n20/D 1.431(lit.) expand Show data source
n20/D 1.432 expand Show data source
Storage Warning
Air & Moisture Sensitive expand Show data source
RTECS
TH0875000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
X expand Show data source
UN Number
3265 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
8 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
21-34 expand Show data source
21-36/38 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
26-36/37-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H312-H314 expand Show data source
H312-H315-H319-H227-H303 expand Show data source
GHS Precautionary statements
P210-P305+P351+P338-P302+P352-P321-P403+P235-P501A expand Show data source
P280-P305 + P351 + P338-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 3 expand Show data source
Purity
≥95% (GC) expand Show data source
90% expand Show data source
94% expand Show data source
Grade
technical expand Show data source
technical grade expand Show data source
Linear Formula
[CH3(CH2)3O]3P expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 361143 external link
Packaging
250 mL in glass bottle

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