AG003G69

728-40-5 | 2,6-Di-tert-butyl-4-nitrophenol

AG003G69

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CAS Number	728-40-5
Catalog Number	AG003G69(AGN-PC-0JL98T)
Chemical Name	2,6-Di-tert-butyl-4-nitrophenol
IUPAC Name	2,6-ditert-butyl-4-nitrophenol
InChI	InChI=1S/C14H21NO3/c1-13(2,3)10-7-9(15(17)18)8-11(12(10)16)14(4,5)6/h7-8,16H,1-6H3
InChI Key	FCGKUUOTWLWJHE-UHFFFAOYSA-N
MDL Number	MFCD00664710
Molecular Formula	C14H21NO3
Molecular Weight	251.3214
NSC Number	81682
SMILES	OC1=C(C(C)(C)C)C=C([N+]([O-])=O)C=C1C(C)(C)C
Synonyms	2,6-di-tert-butyl-4-nitrophenol, DBNP cpd, 2,6-Di-tert-butyl-4-nitrophenol, 728-40-5, Bayer 4889, Phenol, 2,6-bis(1,1-dimethylethyl)-4-nitro-, Bayer 28589, BAY 28589, ENT 25,569, 2,6-ditert-butyl-4-nitrophenol, Phenol, 2,6-di-tert-butyl-4-nitro-, 2,6-Bis(1,1-dimethylethyl)-4-nitrophenol, 2,6-di(tert-butyl)-4-nitrobenzenol, NSC 81682, Bayer 28,589, BRN 2056124, AI3-25569, MLS000755910, 2,6-di-t-butyl-4-nitrophenol, FCGKUUOTWLWJHE-UHFFFAOYSA-N, AK175953, SMR000337938, DSSTox_CID_1559, AC1L2CM2, AC1Q1YM0, DSSTox_RID_76210, NCIOpen2_004262, DSSTox_GSID_21559, Oprea1_462619, cid_69765, AC1O3Z57, CHEMBL224869, SCHEMBL3236587, DTXSID4021559, Phenol, 2,6-bis(1,1-dimethylethyl)-4-nitro- (9CI), SCHEMBL17411458, BDBM95401, CTK5D6928, 2,6-ditert-butyl-4-nitro-phenol, HMS2620M07, Phenol,6-di-tert-butyl-4-nitro-, KS-000000VG, NSC81682, ZINC2513362, 2,6-bis(tert-butyl)-4-nitrophenol, Tox21_301750, BBL001771, MFCD00664710, NSC-81682, Phenol, 2,6-di-t-butyl-4-nitro-, SBB100978, STK331796, AKOS005100920, EBD2321976, MCULE-3794159716, 3,5-Di-t-butyl-4-hydroxy-nitrobenzene, NCGC00246556-01, NCGC00255264-01, CAS-728-40-5, DA-41549, LS-104326, Phenol,6-bis(1,1-dimethylethyl)-4-nitro-, FT-0714407, T8809, WLN: 1X1&1&R BQ ENW CX1&1&1, 4-nitro-2,6-bis-(1,1-dimethylethyl)-phenol, 7L-850, Phenol,2,6-bis(1,1-dimethylethyl)-4-nitro-, 2,6-di(tert-butyl)-4-Nitrobenzenol, AldrichCPR, AG-205/01424014, B-28589, 1,3-DITERT.BUTYL,2-HYDROXY,5-NITRO-BENZENE, 3,5-ditert-butyl-N-hydroxy-4-oxocyclohexa-2,5-dien-1-imine oxide, 10452-78-5, InChI=1/C14H21NO3/c1-13(2,3)10-7-9(15(17)18)8-11(12(10)16)14(4,5)6/h7-8,16H,1-6H, DI-TERTBUTYLNITROPHENOL, C14H21NO3, CID69765, AR-1D5123, C14-H21-N-O3, ZINC01395155, CID6346385, 4-06-00-03493 (Beilstein Handbook Reference), 7554-16-7,

Complexity	285
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.152g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	251.326g/mol
Monoisotopic Mass	251.152g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 2811

Certificate of Analysis

Lot Number