AG0034AZ

31643-49-9 | 4-nitrophthalonitrile

AG0034AZ

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CAS Number	31643-49-9
Catalog Number	AG0034AZ(AGN-PC-0JM2I0)
Chemical Name	4-nitrophthalonitrile
EC Number	250-748-9
IUPAC Name	4-nitrobenzene-1,2-dicarbonitrile
InChI	InChI=1S/C8H3N3O2/c9-4-6-1-2-8(11(12)13)3-7(6)5-10/h1-3H
InChI Key	NTZMSBAAHBICLE-UHFFFAOYSA-N
MDL Number	MFCD00040301
Molecular Formula	C8H3N3O2
Molecular Weight	173.1283
NSC Number	123374
SMILES	[N+](=O)([O-])C=1C=C(C(C#N)=CC1)C#N
Synonyms	4-Nitrophthalonitrile, 31643-49-9, 4-nitrobenzene-1,2-dicarbonitrile, 5-Nitrobenzene-1,2-dicarbonitrile, 3,4-Dicyanonitrobenzene, 4-Nitro-1,2-benzenedicarbonitrile, 1,2-Dicyano-4-nitrobenzene, Phthalonitrile, 4-nitro-, 4-Nitro-phthalonitrile, 1,2-Benzenedicarbonitrile, 4-nitro-, 5-Nitro-1,2-benzenedicarbonitrile, 4-Nitro-O-benzenedinitrile, MFCD00040301, NSC 123374, EINECS 250-748-9, 4-Nitro-1,2-dicyanobenzene, 4-Nitrophthalonitrile, 99%, NTZMSBAAHBICLE-UHFFFAOYSA-N, 4-NITROBENZENE-1,2-DINITRILE, NSC123374, Febuxostat Impurity 11, ACMC-1AIQW, AC1L3YIX, 1,2-dicyano-4nitrobenzene, EC 250-748-9, AC1Q4RB4, Cambridge id 5127823, SCHEMBL73860, KSC223G0B, DTXSID4067642, CTK1C3300, KS-00000EJH, TIMTEC-BB SBB008410, ZINC281541, ACT03063, BCP17427, ANW-27170, CN-080, SBB008410, STK258720, 4-NITROPHTHALIC ACID DINITRILE, AKOS000813811, AC-7855, AN-8603, AS02577, Benzene-1,2-dicarbonitrile, 4-nitro-, CS-W019431, FR-2002, MCULE-7103541227, NSC-123374, PS-6043, RP23534, RTR-013416, NCGC00332018-01, 4-NITRO-1,2-BENZENDICARBONITRILE, AJ-18799, AK-34644, BR-34644, CJ-02659, SC-12720, ST078924, SY029796, ZB010127, AB1005457, DB-006887, LS-109536, ST2418520, TR-013416, 4CH-015432, AM20050112, FT-0602645, N0524, MFCD00040301 (98%), 43N499, S-1413, AB01325699-02, A820936, I14-0144, W-106887, F9995-0344, InChI=1/C8H3N3O2/c9-4-6-1-2-8(11(12)13)3-7(6)5-10/h1-3, null, Not Available, 1, 4-nitro-, C8H3N3O2, 4-Nitrophthalonitrile, 97% 1g, C8-H3-N3-O2, CID97443, AR-1G4129, 4-Nitrophthalonitrile, 99% - 25G 25g, 3268-79-9,

Complexity	302
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.023g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	173.131g/mol
Monoisotopic Mass	173.023g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	93.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H311-H332-H302-H315-H319-H335
Packing Group
Precautionary statements	P280-P304+P340-P405-P501a-P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number