AG003V50

814-29-9 | Tri-N-Butylphosphine Oxide

AG003V50

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CAS Number	814-29-9
Catalog Number	AG003V50(AGN-PC-0JKB03)
Chemical Name	Tri-N-Butylphosphine Oxide
EC Number	212-394-3
IUPAC Name	1-dibutylphosphorylbutane
InChI	InChI=1S/C12H27OP/c1-4-7-10-14(13,11-8-5-2)12-9-6-3/h4-12H2,1-3H3
InChI Key	MNZAKDODWSQONA-UHFFFAOYSA-N
MDL Number	MFCD00002082
Molecular Formula	C12H27OP
Molecular Weight	218.3159
SMILES	P(=O)(CCCC)(CCCC)CCCC
UNII	W58CDF8S4H
Synonyms	butifos, butyl phosphorotrithioate, butyphos, DEF, S,S,S-tributyl phosphorotrithioate, S,S,S-tributyl trithiophosphate, tribufos, tributyl S,S,S-phosphorotrithioate, tributylphosphine oxide, trisbutylphosphine oxide, TRIBUTYLPHOSPHINE OXIDE, Tri-n-butylphosphine oxide, 814-29-9, Butyphos, Phosphine oxide, tributyl-, Trisbutylphosphine oxide, Tributylfosfinoxid, 1-dibutylphosphorylbutane, Tributylfosfinoxid [Czech], UNII-W58CDF8S4H, tributylphosphane oxide, EINECS 212-394-3, NSC 41935, NSC 65484, BRN 1761977, W58CDF8S4H, AI3-51001, MNZAKDODWSQONA-UHFFFAOYSA-N, MFCD00002082, tributylphosphino-1-one, WLN: OP4&4&4, C12H27OP, TRI-N-BUTYLPHOSPHINEOXIDE, Tributylphosphorus oxide, ACMC-209plh, Phosphine oxide,tributyl-, 1-dibutyl-phosphoryl-butane, KSC491K0B, SCHEMBL152127, Tributylphosphine oxide, 95%, DTXSID2061149, CTK3J1500, AC1L2143, KS-000011DT, NSC41935, NSC65484, ZINC1674853, ZX-AT013204, ANW-37443, KM2080, NSC-41935, NSC-65484, SBB057446, AKOS015843246, MCULE-7208022878, RTX-011119, TRA0009766, AN-47646, AS-17756, CJ-06181, DB-009856, LS-106037, FT-0675423, ST51000662, V1684, I14-8981, Oseltamivir impurity H, European Pharmacopoeia (EP) Reference Standard, InChI=1/C12H27OP/c1-4-7-10-14(13,11-8-5-2)12-9-6-3/h4-12H2,1-3H, Tributyl phosphine oxide, United States Pharmacopeia (USP) Reference Standard, Merphos oxide, ACN-S001964, C12-H27-O-P, CID13138, T0921, 4-04-00-03465 (Beilstein Handbook Reference), Tri-n-butylphosphine oxide, 98% - 100G 100g,

Complexity	137
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.18g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	218.321g/mol
Monoisotopic Mass	218.18g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H312-H318-H332-H302+H312+H332-H314
Packing Group	Ⅱ
Precautionary statements	P260-P280-P301+P312+P330-P303+P361+P353-P304+P340+P310-P305+P351+P338-P310-P260h-P301+P330+P331-P405-P501a
UN Code	UN 1759

Certificate of Analysis

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