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2665-12-5

Basic Information
CAS No.: 2665-12-5
Name: BORIC ACID TRI-O-TOLYL ESTER
Article Data: 6
Molecular Structure:
Molecular Structure of 2665-12-5 (BORIC ACID TRI-O-TOLYL ESTER)
Formula: C21H21 B O3
Molecular Weight: 332.207
Synonyms: Boric acid(H3BO3), tri-o-tolyl ester (8CI); Boric acid (H3BO3), tris(2-methylphenyl)ester (9CI); o-Tolyl borate (6CI,7CI); NSC 807; Tri-o-cresyl borate;Tri-o-tolyl borate; Tris(o-methylphenyl) borate
EINECS: 247-538-4
Density: 1.091 g/cm3
Boiling Point: 395.4 °C at 760 mmHg
Flash Point: 137.7 °C
Safety: Poison by ingestion. A severe eye irritant. Combustible when exposed to heat or flame. When heated to decomposition it emits acrid smoke and irritating fumes. See also BORON COMPOUNDS.
PSA: 27.69000
LogP: 5.13350
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Chemistry

Empirical Formula of Tri-o-cresyl borate (CAS NO.2665-12-5): C21H21BO3
Molecular Weight: 332.2006 g/mol
Product Categories: Boric Acid Esters;Boric Acid Triesters
Structure of Tri-o-cresyl borate (CAS NO.2665-12-5):
                 
IUPAC Name: Tris(2-methylphenyl) borate
Canonical SMILES: B(OC1=CC=CC=C1C)(OC2=CC=CC=C2C)OC3=CC=CC=C3C
InChI: InChI=1S/C21H21BO3/c1-16-10-4-7-13-19(16)23-22(24-20-14-8-5-11-17(20)2)25-21-15-9-6-12-18(21)3/h4-15H,1-3H3
InChIKey: RTMBXAOPKJNOGZ-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

eye-rbt 100 mg SEV

    14KTAK    Boron, Metallo-Boron Compounds and Boranes R.M. Adams,New York, NY.: Wiley,1964,706.
2.    

orl-mus LD50:400 mg/kg

    14KTAK    Boron, Metallo-Boron Compounds and Boranes R.M. Adams,New York, NY.: Wiley,1964,706.

Safety Profile

Poison by ingestion. A severe eye irritant. Combustible when exposed to heat or flame. When heated to decomposition Tri-o-cresyl borate (CAS NO.2665-12-5) emits acrid smoke and irritating fumes. See also BORON COMPOUNDS.

Specification

 Tri-o-cresyl borate , its cas register number is 2665-12-5. It also can be called Boric acid (H3BO3), tri-o-tolyl ester (8CI) ; and Boric acid, tri-o-cresyl ester .