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Basic Information
CAS No.: 3495-54-3
Name: ALUMINUM CHLORIDE, ULTRA-PURE
Molecular Structure:
Molecular Structure of 3495-54-3 (ALUMINUM CHLORIDE, ULTRA-PURE)
Formula: CH3 Al Cl3 N O2
Molecular Weight: 194.38
Synonyms: Aluminum,trichloro(nitromethane)- (6CI,7CI); Aluminum, trichloro(nitromethane-O)-,(T-4)-; Aluminum chloride 1:1 complex with nitromethane; Aluminum chloride,compd. with nitromethane (1:1)
Safety: Mixture with alkenes reacts explosively.
PSA: 45.82000
LogP: -8.23440
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Chemistry

 
 IUPAC: nitromethane; trichloroalumane 
Molecular Formula: CH3AlCl3NO2
Molecular Weight: 194.380558 g/mol
Canonical SMILES: [N+]([O-])(=O)C.[Al](Cl)(Cl)Cl
InChI: InChI=1/CH3NO2.Al.3ClH/c1-2(3)4;;;;/h1H3;;3*1H/q;+3;;;/p-3  
 H-Bond Donor: 0
H-Bond Acceptor: 2
Rotatable Bond Count: 0
Tautomer Count: 2
Exact Mass: 192.904475
MonoIsotopic Mass: 192.904475
Topological Polar Surface Area: 43.1
Heavy Atom Count: 8
Complexity: 35.5
Flash Point: 35 °C
Enthalpy of Vaporization: 31.2 kJ/mol
Boiling Point: 85.1 °C at 760 mmHg
Vapour Pressure of Methane, nitro-, compd. with aluminum chloride (1:1) (CAS NO.3495-54-3): 78.6 mmHg at 25 °C

Safety Profile

Methane, nitro-, compd. with aluminum chloride (1:1) is mixture with alkenes reacts explosively.

Specification

 Methane, nitro-, compd. with aluminum chloride (1:1) (CAS NO.3495-54-3 ) can be called Nitromethane compd. with aluminum chloride (1:1)  .