AG002P05

2467-12-1 | Boric acid (H3BO3), trioctyl ester

AG002P05

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CAS Number	2467-12-1
Catalog Number	AG002P05(AGN-PC-0R0GTH)
Chemical Name	Boric acid (H3BO3), trioctyl ester
EC Number	219-580-3
IUPAC Name	trioctyl borate
InChI	InChI=1S/C24H51BO3/c1-4-7-10-13-16-19-22-26-25(27-23-20-17-14-11-8-5-2)28-24-21-18-15-12-9-6-3/h4-24H2,1-3H3
InChI Key	DTBRTYHFHGNZFX-UHFFFAOYSA-N
MDL Number	MFCD00027324
Molecular Formula	C24H51BO3
Molecular Weight	398.4709
NSC Number	783
SMILES	CCCCCCCCOB(OCCCCCCCC)OCCCCCCCC
Synonyms	Trioctyl borate, Tri-n-octyl borate, 2467-12-1, Boric Acid Tri-n-octyl Ester, trioctoxyborane, Trioctyloxyborane, Boric acid (H3BO3), trioctyl ester, Octyl borate, (C8H17O)3 B, Boric Acid Trioctyl Ester, BORIC ACID, TRI-n-OCTYL ESTER, NSC 783, EINECS 219-580-3, BRN 1712338, AI3-51846, Trioctylborate, Tris(octyloxy)borane, tris(1-octyl)borate, ACMC-1CGR8, SCHEMBL205139, WLN: 8OBO8&O8, boricacid(h3bo3),trioctylester, AC1L29H8, NSC783, DTXSID3062441, CTK6E0755, NSC-783, ANW-13741, MFCD00027324, AKOS015833600, ZINC169809993, MCULE-6645501331, LS-45042, SC-65085, DB-046515, TR-011364, 4-01-00-01765 (Beilstein Handbook Reference), I14-11193, CID17176, B2095, NAI,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	398.393g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	398.479g/mol
Monoisotopic Mass	398.393g/mol
Rotatable Bond Count	24
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	\N
Hazard statements	H302-H319
Packing Group	\N
Precautionary statements	P264-P270-P280-P301+P312+P330-P305+P351+P338+P337+P313-P501
UN Code	\N

Certificate of Analysis

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