AG003UPC

7425-80-1 | Titaniumisobutoxide

AG003UPC

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CAS Number	7425-80-1
Catalog Number	AG003UPC(AGN-PC-0U4VEN)
Chemical Name	Titaniumisobutoxide
EC Number	231-061-3
IUPAC Name	2-methylpropan-1-olate;titanium(4+)
InChI	InChI=1S/4C4H9O.Ti/c4*1-4(2)3-5;/h4*4H,3H2,1-2H3;/q4*-1;+4
InChI Key	QUVMSYUGOKEMPX-UHFFFAOYSA-N
MDL Number	MFCD00015045
Molecular Formula	C16H36O4Ti
Molecular Weight	340.3216
SMILES	CC(C)C[O-].CC(C)C[O-].CC(C)C[O-].CC(C)C[O-].[Ti+4]
UN Number	2924
Synonyms	7425-80-1, Tetraisobutyl Orthotitanate, 1-Propanol, 2-methyl-, titanium(4+) salt, Isobutyl Titanate, Titanium Isobutoxide, Titanium tetraisobutanolate, 1-Propanol, 2-methyl-, titanium(4+) salt (4:1), EINECS 231-061-3, Tetraisobutyl titanate, titanium(iv)isobutoxide, AC1L4WXL, DTXSID0064670, CTK5D9620, Tetrakis(isobutoxy) titanium(IV), ANW-41187, AKOS025295686, 2-methylpropan-1-olate; titanium(4+), TR-031482, Tetraisobutyl Orthotitanate (contains Isopropoxide), C4H10O.1/4Ti, C4-H10-O.1/4Ti, Isobutyl alcohol, titanium(4) salt, CID165601, NA2924, UN2924, 1-Propanol, 2-methyl-, titanium(4) salt, T0978, T2711,

Complexity	17.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	340.209g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	340.327g/mol
Monoisotopic Mass	340.209g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	92.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H318-H335-H336
Packing Group	Ⅲ
Precautionary statements	P210-P280-P304+P340+P312-P305+P351+P338+P310-P403+P235
UN Code	UN 1993

Certificate of Analysis

Lot Number