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1779-25-5 molecular structure
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chlorobis(2-methylpropyl)alumane

ChemBase ID: 137239
Molecular Formular: C8H18AlCl
Molecular Mass: 176.663058
Monoisotopic Mass: 176.09124189
SMILES and InChIs

SMILES:
CC(C)C[Al](CC(C)C)Cl
Canonical SMILES:
CC(C[Al](CC(C)C)Cl)C
InChI:
InChI=1S/2C4H9.Al.ClH/c2*1-4(2)3;;/h2*4H,1H2,2-3H3;;1H/q;;+1;/p-1
InChIKey:
HQMRIBYCTLBDAK-UHFFFAOYSA-M

Cite this record

CBID:137239 http://www.chembase.cn/molecule-137239.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
chlorobis(2-methylpropyl)alumane
IUPAC Traditional name
diisobutylaluminium chloride
Synonyms
Diisobutylaluminum chloride
二异丁基氯化铝
CAS Number
1779-25-5
EC Number
217-216-8
MDL Number
MFCD00008927
PubChem SID
162231504
24855551
PubChem CID
15688

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
256803 external link Add to cart Please log in.
Data Source Data ID
PubChem 15688 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.8941  LogD (pH = 7.4) 4.8941 
Log P 4.8941  Molar Refractivity 45.1293 cm3
Polarizability 19.765152 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)
Melting Point
-40 °C(lit.) expand Show data source
Boiling Point
152 °C/10 mmHg(lit.) expand Show data source
Flash Point
-.4 °F expand Show data source
-18 °C expand Show data source
Density
0.905 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.4506(lit.) expand Show data source
RTECS
BD0560000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Highly toxic Highly toxic (T+) expand Show data source
UN Number
3394 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
1 expand Show data source
Hazard Class
4.2 expand Show data source
Packing Group
1 expand Show data source
Risk Statements
11-14/15-17-26-34 expand Show data source
Safety Statements
16-26-36/37/39-45 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H250-H261-H314-H330 expand Show data source
GHS Precautionary statements
P210-P222-P231 + P232-P260-P280-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
97% expand Show data source
Linear Formula
[(CH3)2CHCH2]2AlCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 256803 external link
Packaging
1 kg in Sure-Pac™
100 g in Sure-Pac™
Application
Transmetalating reagent
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.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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