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Barium m-Toluate
[CAS# 68092-47-7]

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Identification
Name Barium m-Toluate
Synonyms Benzoic Acid, 3-Methyl-; Nsc2214; M-Methylbenzoic Acid
Molecular Formula C8H8O2
Molecular Weight 136.15
CAS Registry Number 68092-47-7
EINECS 268-460-7
SMILES C1=C(C=CC=C1C)C(O)=O
InChI 1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey GPSDUZXPYCFOSQ-UHFFFAOYSA-N
Properties
Density 1.05 (Expl.)
1.2±0.1g/cm3 (Cal.)
Melting point 112°C (Expl.)
Boiling point 263°C (Expl.)
263.8±9.0°C at 760 mmHg (Cal.)
Flash point 120.0±13.4°C (Cal.)
150°C (Expl.)
Safety Data
Safety Code S26;S36/37  Details
Risk Code R22;R36/37/38  Details
Hazard Symbol symbol  X  Details
Safety Description Safety glasses.
WARNING: Irritates skin and eyes, harmful if swallowed
References
(1) Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493
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