Molecule structure of Methylseleno-2-benzoic acid (CAS NO.6547-08-6) :
IUPAC Name: 2-methylselanylbenzoic acid
Molecular Weight: 215.10792 g/mol
Molecular Formula: C8H8O2Se
Flash Point: 149.4 °C
Enthalpy of Vaporization: 59.69 kJ/mol
Boiling Point: 323.4 °C at 760 mmHg
Vapour Pressure: 0.000108 mmHg at 25 °C
H-Bond Donor :1
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Exact Mass: 215.968951
MonoIsotopic Mass: 215.968951
Topological Polar Surface Area: 37.3
Heavy Atom Count: 11
Complexity: 147
Canonical SMILES: C[Se]C1=CC=CC=C1C(=O)O
InChI: InChI=1S/C8H8O2Se/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey Methylseleno-2-benzoic acid (CAS NO.6547-08-6) : QWLIHSCHURTGJX-UHFFFAOYSA-N
1. | ipr-rat LDLo:1100 mg/kg | CRSBAW Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. 172 (1978),383. | ||
2. | ivn-rat LDLo:500 mg/kg | CRSBAW Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. 172 (1978),383. |
Moderately toxic by intraperitoneal and intravenous routes. When heated to decomposition it emits toxic fumes of Se.
OSHA PEL: TWA 0.2 mg(Se)/m3
ACGIH TLV: TWA 0.2 mg(Se)/m3
Methylseleno-2-benzoic acid (CAS NO.6547-08-6) is also called 3-10-00-00240 (Beilstein Handbook Reference) ; Acide methyl seleno-2-benzoique ; Acide methyl seleno-2-benzoique [French] ; BRN 2613794 ; Benzoic acid, 2-(methylseleno)- ;
o-(Methylseleno)benzoic acid ; Benzoic acid, o-(methylseleno)- .
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