AG003OJ5

5337-36-0 | Boric acid tri-n-hexyl ester

AG003OJ5

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CAS Number	5337-36-0
Catalog Number	AG003OJ5(AGN-PC-0SF0ME)
Chemical Name	Boric acid tri-n-hexyl ester
EC Number	226-262-8
IUPAC Name	trihexyl borate
InChI	InChI=1S/C18H39BO3/c1-4-7-10-13-16-20-19(21-17-14-11-8-5-2)22-18-15-12-9-6-3/h4-18H2,1-3H3
InChI Key	KDQYHGMMZKMQAA-UHFFFAOYSA-N
MDL Number	MFCD00027295
Molecular Formula	C18H39BO3
Molecular Weight	314.3115
NSC Number	781
SMILES	CCCCCCOB(OCCCCCC)OCCCCCC
UNII	9LK29O7A4Y
Synonyms	Trihexyl borate, 5337-36-0, Hexyl orthoborate, Boric acid tri-n-hexyl ester, Tri-n-hexyl borate, Hexyl borate, tri-, BORIC ACID, TRIHEXYL ESTER, Trihexyl orthoborate, Boric acid (H3BO3), trihexyl ester, Hexyl borate, (C6H13O)3 B, Boric Acid Trihexyl Ester, NSC 781, EINECS 226-262-8, BRN 1708687, UNII-9LK29O7A4Y, AI3-60244, 9LK29O7A4Y, KDQYHGMMZKMQAA-UHFFFAOYSA-N, C18H39BO3, AC1L2IAM, ACMC-209l6n, SCHEMBL187020, WLN: 6OBO6&O6, NSC781, CTK8B1837, NSC-781, 6495AF, ANW-31725, MFCD00027295, AKOS015833599, ZINC169809984, MCULE-3005824266, CC-25193, LS-45038, DB-052321, TR-018879, FT-0635633, C-19395, I14-57407, CID21423, C18-H39-B-O3, B2094, 4-01-00-01703 (Beilstein Handbook Reference),

Complexity	170
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	314.299g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	314.317g/mol
Monoisotopic Mass	314.299g/mol
Rotatable Bond Count	18
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-P280-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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