AG003OJ6

5337-41-7 | Boric acid trioctadecyl ester

AG003OJ6

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CAS Number	5337-41-7
Catalog Number	AG003OJ6(AGN-PC-0SEZXR)
Chemical Name	Boric acid trioctadecyl ester
IUPAC Name	trioctadecyl borate
InChI	InChI=1S/C54H111BO3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-56-55(57-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)58-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-54H2,1-3H3
InChI Key	GZKLCETYSGSMRA-UHFFFAOYSA-N
MDL Number	MFCD00026677
Molecular Formula	C54H111BO3
Molecular Weight	819.2683
NSC Number	786
SMILES	CCCCCCCCCCCCCCCCCCOB(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
UNII	482KAL84AF
Synonyms	Trioctadecyl borate, 5337-41-7, Tristearyl borate, Borester 13, tri-n-octadecyl borate, Octadecyl borate, Boric acid, tristearyl ester, Boric Acid Trioctadecyl Ester, Tris(octadecyloxy)boron, BORIC ACID, TRIOCTADECYL ESTER, Octadecyl borate, (C18H37O)3 B, NSC 786, Tristearylester kyseliny borite [Czech], BRN 1718044, UNII-482KAL84AF, 482KAL84AF, Boric acid (H3BO3), trioctadecyl ester, Tristearylester kyseliny borite, Tri-n-octadecylborate, Trioctadecoxyborane (N), AC1L2IAS, Boric Acid Tristearyl Ester, ACMC-1B03K, SCHEMBL350142, NSC786, BORICACIDTRIOCTADECYLESTER, Boric acid tri-n-octadecyl ester, CTK8B1838, DTXSID80201533, NSC-786, WLN: 18OBO18&O18, Octadecyl borate, (C18H37O)3B, ANW-31726, MFCD00026677, AKOS015833604, ZINC169810025, MCULE-9290314640, CC-35430, LS-45041, DB-052322, TR-018880, B0523, FT-0635634, Boric acid (H3BO3), trioctadecyl ester (8CI), C-23545, Boric acid (H3BO3), trioctadecyl ester (8CI)(9CI), I14-106107, InChI=1/C54H111BO3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-56-55(57-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)58-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-54H2,1-3H, C54H111BO3, CID21425, C54-H111-B-O3, 4-01-00-01893 (Beilstein Handbook Reference),

Complexity	599
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	818.863g/mol
Formal Charge	0
Heavy Atom Count	58
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	819.289g/mol
Monoisotopic Mass	818.863g/mol
Rotatable Bond Count	54
Topological Polar Surface Area	27.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P264-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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