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Methylseleno-2-benzoic acid

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Name

Methylseleno-2-benzoic acid

EINECS N/A
CAS No. 6547-08-6 Density N/A
PSA 37.30000 LogP 0.76240
Solubility N/A Melting Point N/A
Formula C8H8 O2 Se Boiling Point 323.4°C at 760 mmHg
Molecular Weight 215.11 Flash Point 149.4°C
Transport Information N/A Appearance N/A
Safety Moderately toxic by intraperitoneal and intravenous routes. When heated to decomposition it emits toxic fumes of Se. Risk Codes N/A
Molecular Structure Molecular Structure of 6547-08-6 (methylseleno-2-benzoic acid) Hazard Symbols N/A
Synonyms

Benzoicacid, o-(methylselenyl)- (7CI,8CI); 2-Methylselenobenzoic acid;o-(Methylseleno)benzoic acid

 

Methylseleno-2-benzoic acid Chemical Properties

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

Methylseleno-2-benzoic acid Toxicity Data With Reference

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.

Methylseleno-2-benzoic acid Safety Profile

Moderately toxic by intraperitoneal and intravenous routes. When heated to decomposition it emits toxic fumes of Se.

Methylseleno-2-benzoic acid Standards and Recommendations

OSHA PEL: TWA 0.2 mg(Se)/m3
ACGIH TLV: TWA 0.2 mg(Se)/m3

Methylseleno-2-benzoic acid Specification

 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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