tripropylalumane

• ChemBase ID: 138622
• Molecular Formular: C9H21Al
• Molecular Mass: 156.244578
• Monoisotopic Mass: 156.1458643
• SMILES: CCC[Al](CCC)CCC
• Canonical SMILES: CCC[Al](CCC)CCC
• InChI: InChI=1S/3C3H7.Al/c3*1-3-2;/h3*1,3H2,2H3
• InChIKey: CNWZYDSEVLFSMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tripropylalumane
• IUPAC Traditional name: tri-n-propylaluminium
• Synonyms: Tripropylaluminum; 三正丙基铝

Database IDs

• CAS Number: 102-67-0
• EC Number: 203-045-6
• MDL Number: MFCD00009357
• PubChem SID: 24855576; 162232874
• PubChem CID: 16683069

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.2898
• LogD (pH = 7.4): 4.2898
• Log P: 4.2898
• Molar Refractivity: 44.6127 cm^3
• Polarizability: 19.843412 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -107 °C(lit.)
• Boiling Point: 82-84 °C/2 mmHg(lit.)
• Flash Point: -.4 °F; -18 °C
• Density: 0.823 g/mL at 25 °C(lit.)

Safety Information

• RTECS: BD2208000
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3394
• German water hazard class: nwg
• Hazard Class: 4.2
• Packing Group: 1
• Risk Statements: 14-17-34
• Safety Statements: 16-43-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H250-H261-H314
• GHS Precautionary statements: P210-P222-P231 + P232-P280-P305 + P351 + P338-P422
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3394 4.2/PG 1

Product Information

• Linear Formula: (CH3CH2CH2)3Al

DETAILS

Sigma Aldrich - 257249

Packaging
100 g in Sure-Pac™
Application
Reactant involved in:
• Studies of the kinetics and mechanism of Zr-catalyzed chain growth1
• Copper-catalyzed conjugate addition to nitrodienes and nitroenynes2 or oxabicyclohelptadienedicarboxylates3
• Copper-catalyzed stereoselective ring opening / desymmetrization of polycyclic meso-hydrazines4 or 1,4-dihydro-1,4-naphthalene epoxide5
• Synthesis of β-hydroxylactams via alkylative aldol cyclization with α,β-unsaturated carboxamides6
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.