Molecule structure of Benzodol (CAS NO.54531-52-1):
IUPAC Name: formaldehyde; (4-hydroxyphenyl)arsonic acid
Molecular Weight: 248.06496 g/mol
Molecular Formula: C7H9AsO5
Boiling Point: 529.9 °C at 760 mmHg
Flash Point: 288.3 °C
Enthalpy of Vaporization: 84.74 kJ/mol
Vapour Pressure: 4.68E-12 mmHg at 25 °C
H-Bond Donor: 3
H-Bond Acceptor: 5
Rotatable Bond Count: 1
Tautomer Count: 2
Exact Mass: 247.966595
MonoIsotopic Mass: 247.966595
Topological Polar Surface Area: 94.8
Heavy Atom Count: 13
Complexity: 169
Canonical SMILES: C=O.C1=CC(=CC=C1O)[As](=O)(O)O
InChI: InChI=1S/C6H7AsO4.CH2O/c8-6-3-1-5(2-4-6)7(9,10)11;1-2/h1-4,8H,(H2,9,10,11);1H2
InChIKey: NMZAUYUTBVJHEZ-UHFFFAOYSA-N
1. | orl-mus LD50:>4 g/kg | ANTCAO Antibiotics and Chemotherapy. 8 (1958),400. | ||
2. | ipr-mus LD50:235 mg/kg | MEIEDD Merck Index. 11 (1989),1203. |
Poison by intraperitoneal route. Low toxicity by ingestion. When heated to decomposition it emits toxic fumes of As.
OSHA PEL: TWA 0.5 mg(As)/m3
ACGIH TLV: BEI: 35 μ (As)/L inorganic arsenic and methylated metabolites in urine
Benzodol (CAS NO.54531-52-1) is also called (4-Hydroxyphenyl)arsonic acid polymer with formaldehyde ; Benzocal ; Polibenzarsol ; Polibenzarsol [INN-Spanish] ; Polybenzarsol ; Polybenzarsolum ; Polybenzarsolum [INN-Latin] ; A mixture of polymers formed by reacting formaldehyde with 4-hydroxybenzenearsonic acid ; Arsonic acid, (4-hydroxyphenyl)-, polymer with formaldehyde . Benzodol (CAS NO.54531-52-1) is high toxic. It is flammable. It will produce toxic arsenide fumes when buring. So the storage environment should be ventilate, low-temperature and dry. Keep Benzodol (CAS NO.54531-52-1) separate from raw materials of food.
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