CAS 1779-25-5 Diisobutyl aluminium chloride (HCID 16686353)

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Basic information

CAS: 1779-25-5
Standard SMILES: CC(C)[CH2][Al+][CH2]C(C)C.[Cl-]
InChIKey: HQMRIBYCTLBDAK-UHFFFAOYSA-M
Molecular formula: C8H18AlCl
Average molar mass: 176.66 g/mol

Overview

See also: Bis(isobutyl)aluminum chloride (preferred).

Names & identifiers

Preferred name: Diisobutyl aluminium chloride
IUPAC: bis(2-methylpropyl)alumanylium chloride
English name: Diisobutylaluminum chloride
Molecular formula: C8H18AlCl
Molecular weight: 176.66

Names & synonyms

iBu2AlCli-Bu2AlClbis(2-methylpropyl)alumanylium;chloridediisobutyl aluminium chloridedi-isobutyl aluminum chlorideSCHEMBL21698HQMRIBYCTLBDAK-UHFFFAOYSA-MDIBACdiisobutylchloroaluminumchlorodiisobutyl-aluminuchlorodiisobutylaluminumDISOBUTYLALUMINUM CHLORIDE

Show more names

Chlorodiisobutyl aluminiumDiisobutylaluminiumchloridAluminum,chlorodiisobutyl-DI-I-BUTYLALUMINUM CHLORIDEDiisobutylaluminum chloride

Database identifiers

CAS: 1779-25-5
PubChem CID: 16686353
UNII: 1833W98UUG

Properties

Computed structural properties

Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 49.6

Physicochemical properties

Melting point: -40 °C · -40°C
Boiling point: 152 °C · 152°C 10mm
Density: 0.905 g/mL · 0.905 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.4506(lit.)
Flash point: -18 °C · -18°C
storage temp.: Flammables area
solubility: soluble in ethyl ether, hx
form: Liquid
Specific Gravity: 0.74 · 0.74
color: Colorless
Water Solubility: Soluble in aromatic, saturated aliphatic and cycloaliphatic hydrocarbon. Reacts with water.
Sensitive: Air & Moisture Sensitive
Hydrolytic Sensitivity: 8 · 8: reacts rapidly with moisture, water, protic solvents
InChIKey: HQMRIBYCTLBDAK-UHFFFAOYSA-M
CAS DataBase Reference: 1779 · 1779-25-5
FDA UNII: 1833 W98UUG · 1833W98UUG

Safety & regulation

Safety data

wgk: 1
tsca: TSCA listed
rtecs: BD0560000
ridadr: 3052
hs_code: 29310099
Toxicity: mouse,LCLo,inhalation,680gm/kg/15M (680000mg/kg),LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMALIVER: OTHER CHANGESLUNGS, THORAX, OR RESPIRATION: DYSPNEA,Medicina del Lavoro. Industrial Medicine. Vol. 58, Pg. 290, 1967.
risk_code: 67-65-50/53-35-14/15-11-34-26-17
Signal word: Danger
Symbol(GHS): GHS02,GHS05,GHS06
hazard_code: N-C-F,T+,F
safety_code: 6A-57-45-43E-36/37/39-29-26-16
hazard_class: 4.3
packing_group: I
Hazard statements: H250-H261-H314-H330
REACH Registrations: Active
Precautionary statements: P231+P232-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P370+P378
Hazardous Substances Data: 1779-25-5(Hazardous Substances Data)