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Boric acid,tris(2-chlorophenyl) ester 5337-60-0 98%
Identification and Related Records
【Name】
Boric acid,tris(2-chlorophenyl) ester
【Iupac name】
tris(2-chlorophenyl) borate
【CAS Registry number】
5337-60-0
【Synonyms】
Boric acid(H3BO3), tris(2-chlorophenyl) ester (9CI)
Boric acid, tris(o-chlorophenyl)ester (8CI)
Phenol, o-chloro-, borate (3:1) (6CI)
Phenol, o-chloro-, borate(7CI)
NSC 808
【EINECS(EC#)】
226-263-3
【Molecular Formula】
C18H12 B Cl3 O3 (Products with the same molecular formula)
【Molecular Weight】
393.46
【Inchi】
InChI=1/C18H12BCl3O3/c20-13-7-1-4-10-16(13)23-19(24-17-11-5-2-8-14(17)21)25-18-12-6-3-9-15(18)22/h1-12H
【Canonical SMILES】
B(OC1=CC=CC=C1Cl)(OC2=CC=CC=C2Cl)OC3=CC=CC=C3Cl
【MOL File】
5337-60-0.mol
Chemical and Physical Properties
【Density】
1.349g/cm3
【Boiling Point】
424.3°Cat760mmHg
【Refractive Index】
1.593
【Flash Point】
210.4°C
【Computed Properties】
Molecular Weight:393.45608 [g/mol]
Molecular Formula:C18H12BCl3O3
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:6
Exact Mass:391.994508
MonoIsotopic Mass:391.994508
Topological Polar Surface Area:27.7
Heavy Atom Count:25
Formal Charge:0
Complexity:347
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
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