AG003B9R

3602-55-9 | 2-tert-Butyl-1,4-benzoquinone

AG003B9R

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CAS Number	3602-55-9
Catalog Number	AG003B9R(AGN-PC-0JKEJQ)
Chemical Name	2-tert-Butyl-1,4-benzoquinone
EC Number	222-757-8
IUPAC Name	2-tert-butylcyclohexa-2,5-diene-1,4-dione
InChI	InChI=1S/C10H12O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6H,1-3H3
InChI Key	NCCTVAJNFXYWTM-UHFFFAOYSA-N
MDL Number	MFCD00666928
Molecular Formula	C10H12O2
Molecular Weight	164.2011
NSC Number	124503
SMILES	O=C(C=C1)C=C(C(C)(C)C)C1=O
UNII	F18QT8490S
Synonyms	2-t-BQ, 2-tert-butyl(1,4)para-quinone, 2-tert-butyl-1,4-benzoquinone, 2-tert-butyl-4-benzoquinone, 2-tert-butyl-4-quinone, tert-butylquinone, 2-tert-Butyl-1,4-benzoquinone, 3602-55-9, tert-Butylquinone, tert-Butyl-p-benzoquinone, tert-Butylbenzoquinone, 2-tert-Butyl-p-benzoquinone, 2-tert-Butyl-p-quinone, 2-tert-Butyl-4-quinone, 2-tert-Butyl quinone, t-Butylquinone, tert-Butyl-1,4-benzoquinone, tert-Butyl-p-quinone, p-BENZOQUINONE, 2-tert-BUTYL-, 2-tert-butylcyclohexa-2,5-diene-1,4-dione, 2,5-Cyclohexadiene-1,4-dione, 2-(1,1-dimethylethyl)-, NSC 124503, UNII-F18QT8490S, CCRIS 1263, EINECS 222-757-8, BRN 1860944, 2-(1,1-Dimethylethyl)-2,5-cyclohexadiene-1,4-dione, NCCTVAJNFXYWTM-UHFFFAOYSA-N, F18QT8490S, 2-(1,1-Dimethylethyl)-2,5-cyclohexadien-1,4-dione, 2,5-Cyclohexadien-1,4-dione, 2-(1,1-dimethylethyl)-, W-106644, Effulgence-TBQ, t-butylbenzoquinone, PubChem14593, tertbutyl-p-benzoquinone, AC1L2DOL, ACMC-1CJP1, tertiary butylhydro-quinone, p-Benzoquinone, tert-butyl-, SCHEMBL49453, KSC492M5L, Jsp006445, CHEMBL2252966, CTK3J2655, NCCTVAJNFXYWTM-UHFFFAOYSA-, DTXSID70189593, 2-tert-Butylbenzo-1,4-quinone #, ZINC1713758, ANW-28337, MFCD00666928, NSC124503, AKOS015837829, ACM3602559, FCH1114816, MCULE-8682863565, NSC-124503, RTR-014828, TRA0080287, 2,4-dione, 2-(1,1-dimethylethyl)-, 2-tert-Butyl-1,4-benzoquinone, 98%, KS-0000109F, AK-41651, LS-40326, O528, DB-048908, TR-014828, FT-0634926, ST51038351, 2-(tert-butyl)cyclohexa-2,5-diene-1,4-dione, A823099, C-36728, I01-18268, 2,5-Cyclohexadien-1,4-dione, 2-(1,1-dimethylethyl)- (9CI), 2,5-Cyclohexadiene-1,4-dione, 2-(1,1-dimethylethyl)- (9CI), InChI=1/C10H12O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6H,1-3H3, 2-t-BQ, 2-tert-butyl-4-benzoquinone, 2-tert-butyl(1,4)para-quinone, C10H12O2, CID19211, C10-H12-O2, B1984, 4-07-00-02100 (Beilstein Handbook Reference), C051290,

Complexity	288
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.084g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	164.204g/mol
Monoisotopic Mass	164.084g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number