Home > Compound List > Compound details
100-99-2 molecular structure
click picture or here to close

tris(2-methylpropyl)alumane

ChemBase ID: 129999
Molecular Formular: C12H27Al
Molecular Mass: 198.324318
Monoisotopic Mass: 198.19281449
SMILES and InChIs

SMILES:
CC(C)C[Al](CC(C)C)CC(C)C
Canonical SMILES:
CC(C[Al](CC(C)C)CC(C)C)C
InChI:
InChI=1S/3C4H9.Al/c3*1-4(2)3;/h3*4H,1H2,2-3H3;
InChIKey:
MCULRUJILOGHCJ-UHFFFAOYSA-N

Cite this record

CBID:129999 http://www.chembase.cn/molecule-129999.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tris(2-methylpropyl)alumane
IUPAC Traditional name
triisobutylaluminium
Synonyms
TIBA solution
Triisobutylaluminum solution
Triisobutylaluminum
Aluminumtriisobutanide
TIBA
Triisobutylaluminium
TIBA 溶液
三异丁基铝 溶液
三(2-甲基丙基)铝
三异丁基铝
CAS Number
100-99-2
EC Number
202-906-3
MDL Number
MFCD00008929
Beilstein Number
3587328
PubChem SID
24855574
24866529
24855573
24851560
162224285
PubChem CID
16682931
Wikipedia Title
Triisobutylaluminium

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.4982  LogD (pH = 7.4) 5.4982 
Log P 5.4982  Molar Refractivity 58.0275 cm3
Polarizability 25.383938 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Colorless liquid expand Show data source
liquid expand Show data source
Liquid expand Show data source
Melting Point
4 - 6°C expand Show data source
4-6 °C(lit.) expand Show data source
Boiling Point
68-69 °C expand Show data source
86 °C/10 mmHg(lit.) expand Show data source
86°C expand Show data source
Flash Point
-.4 °F expand Show data source
-14.8 °F expand Show data source
-18 °C expand Show data source
-26 °C expand Show data source
Density
0.695 g/mL at 25 °C expand Show data source
0.70 g/mL at 20 °C expand Show data source
0.782 expand Show data source
0.786 g/mL at 25 °C expand Show data source
0.786 g/mL at 25 °C(lit.) expand Show data source
0.848 g/mL at 25 °C expand Show data source
Refractive Index
n20/D 1.4494(lit.) 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
Nature polluting Nature polluting (N) expand Show data source
X expand Show data source
UN Number
3394 expand Show data source
UN3399 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
German water hazard class
2 expand Show data source
nwg expand Show data source
Hazard Class
4.2 expand Show data source
4.3 expand Show data source
Packing Group
1 expand Show data source
I expand Show data source
Risk Statements
11-14-17-34-48/20-51/53-62-65-67 expand Show data source
11-14-17-34-48/20-62-51/53-65-67 expand Show data source
14-17-34 expand Show data source
14-17-34-48/20-51/53-62-65-67 expand Show data source
63-11-14-17-34-48/20-65-67 expand Show data source
Safety Statements
16-26-36/37/39-45-61-62 expand Show data source
16-26-36/37/39-45-62 expand Show data source
16-43-45 expand Show data source
26-36/37/39-45-61-62 expand Show data source
8-9-16-23-26-30-36/37/39-43-45-57-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H250-H260-H304-H314-H332-H336-H361d-H371-H373 expand Show data source
H225-H250-H260-H304-H314-H336-H361d-H373 expand Show data source
H225-H250-H260-H304-H314-H336-H361f-H373-H411 expand Show data source
H225-H250-H260-H304-H361-H373-H314-H336-H411 expand Show data source
H250-H260-H304-H314-H336-H361f-H373-H411 expand Show data source
H250-H260-H314 expand Show data source
GHS Precautionary statements
P210-P222-P223-P231 + P232-P370 + P378-P422 expand Show data source
P210-P301+P310-P303+P361+P353-P305+P351+P338-P405-P422A-P501A expand Show data source
P222-P223-P231 + P232-P261-P370 + P378-P422 expand Show data source
P222-P223-P231 + P232-P280-P370 + P378-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 3394 4.2/PG 1 expand Show data source
Supplemental Hazard Statements
Reacts violently with water. expand Show data source
Purity
25% w/w in hexane expand Show data source
Concentration
~28% in hexane expand Show data source
1.0 M in hexanes expand Show data source
25 wt. % in toluene expand Show data source
Grade
technical expand Show data source
Linear Formula
[(CH3)2CHCH2]3Al expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 257206 external link
Packaging
1 kg in Sure-Pac™
100, 500 g in Sure-Pac™
Recommended products
Angled septum-inlet adapter Z118206 or straight septum-inlet adapter, 6mm I.D. inlet, Z118141 or straight septum-inlet adapter, 13mm I.D. inlet, Z118192 are recommended.
Sigma Aldrich - 423793 external link
Packaging
100, 800 mL in Sure/Seal™
Sigma Aldrich - 257214 external link
Packaging
1 kg in Sure-Pac™
100 g in Sure-Pac™
Recommended products
Angled septum-inlet adapter Z118206 or straight septum-inlet adapter, 6mm I.D. inlet, Z118141 or straight septum-inlet adapter, 13mm I.D. inlet, Z118192 is recommended.
Sigma Aldrich - 192716 external link
Packaging
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