AG002OPM

2460-77-7 | 2,5-Cyclohexadiene-1,4-dione, 2,5-bis(1,1-dimethylethyl)-

AG002OPM

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CAS Number	2460-77-7
Catalog Number	AG002OPM(AGN-PC-0JKDAT)
Chemical Name	2,5-Cyclohexadiene-1,4-dione, 2,5-bis(1,1-dimethylethyl)-
EC Number	219-552-0
IUPAC Name	2,5-ditert-butylcyclohexa-2,5-diene-1,4-dione
InChI	InChI=1S/C14H20O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8H,1-6H3
InChI Key	ZZYASVWWDLJXIM-UHFFFAOYSA-N
MDL Number	MFCD00019442
Molecular Formula	C14H20O2
Molecular Weight	220.3074
SMILES	C(C)(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)C
UNII	G893OSV02D
Synonyms	2,5-di-tert-butylbenzoquinone, 2,5-TBQ, 2,5-Di-tert-butyl-1,4-benzoquinone, 2460-77-7, 2,5-di-tert-butylcyclohexa-2,5-diene-1,4-dione, 2,5-Di-tert-butylbenzoquinone, 2,5-Di-tert-butylquinone, 2,5-Di-tert-butylsemiquinone, NSC 7489, 2,5-di-tert-Butyl-p-quinone, 2,5-Cyclohexadiene-1,4-dione, 2,5-bis(1,1-dimethylethyl)-, 2,5-Di-tert-butyl-p-benzoquinone, UNII-G893OSV02D, NSC 43579, p-Benzoquinone, 2,5-di-tert-butyl-, 2,5-DI-T-BUTYL-P-BENZOQUINONE, HSDB 3931, EINECS 219-552-0, BRN 2047945, AI3-16635, G893OSV02D, 2,5-ditert-butylcyclohexa-2,5-diene-1,4-dione, MFCD00019442, 2,5-Bis(1,1-dimethylethyl)-2,5-cyclohexadiene-1,4-dione, p-Benzoquinone,5-di-tert-butyl-, 2,5-Cyclohexadien-1,4-dione, 2,5-bis(1,1-dimethylethyl)-, 2,4-dione, 2,5-bis(1,1-dimethylethyl)-, PubChem14594, ACMC-209gde, Maybridge4_002986, DSSTox_CID_24889, DSSTox_GSID_44889, SCHEMBL49783, KSC496C4D, 25-DBQ, AC1L29G2, CHEMBL3560130, DTXSID3044889, CTK3J6141, ZINC76106, ZZYASVWWDLJXIM-UHFFFAOYSA-, NSC7489, ZZYASVWWDLJXIM-UHFFFAOYSA-N, HMS1529H16, 2,5-di-t-butyl-1,4-benzoquinone, CCG-1811, KS-00000MP7, NSC-7489, NSC43579, 2,5-ditert-butyl-1,4-benzoquinone, Tox21_303738, 2,5-Ditert-butylbenzo-1,4-quinone, ANW-25488, NSC-43579, 2,5-ditert-butyl-[1,4]benzoquinone, AKOS015837828, CS-W023258, MCULE-5433016497, RTR-011339, NCGC00176338-01, NCGC00176338-02, NCGC00357046-01, AK388796, AN-20832, AS-15434, CC-07904, LS-56273, P308, CAS-2460-77-7, TR-011339, 2,5-Di-tert-butyl-1,4-benzoquinone, 99%, D0178, FT-0610493, p-Benzoquinone, 2,5-di-tert-butyl- (8CI), ST50998288, (2,5-Di-tert-butyl-1,4-phenylenebisoxy)radical, A817394, C-34464, 2,5-bis(tert-butyl)cyclohexa-2,5-diene-1,4-dione, J-015589, I01-17666, InChI=1/C14H20O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8H,1-6H3, C14H20O2, CID17161, C14-H20-O2, 4-07-00-02115 (Beilstein Handbook Reference),

Complexity	355
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.146g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	220.312g/mol
Monoisotopic Mass	220.146g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number