AG001FD3

148-01-6 | 3,5-Dinitro-o-toluamide

AG001FD3

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CAS Number	148-01-6
Catalog Number	AG001FD3(AGN-PC-0JK6FY)
Chemical Name	3,5-Dinitro-o-toluamide
EC Number	205-706-4
IUPAC Name	2-methyl-3,5-dinitrobenzamide
InChI	InChI=1S/C8H7N3O5/c1-4-6(8(9)12)2-5(10(13)14)3-7(4)11(15)16/h2-3H,1H3,(H2,9,12)
InChI Key	ZEFNOZRLAWVAQF-UHFFFAOYSA-N
MDL Number	MFCD00072065
Molecular Formula	C8H7N3O5
Molecular Weight	225.1583
NSC Number	758213
RTECS Number	XS4200000
SMILES	O=C(N)C1=CC([N+]([O-])=O)=CC([N+]([O-])=O)=C1C
UNII	AOX68RY4TV
Synonyms	Coccidot, Dinitolmide, Dinitrotoluamide, Methyldinitrobenzamide, Zoalene, dinitolmide, 2-Methyl-3,5-dinitrobenzamide, 148-01-6, Zoalene, 3,5-Dinitro-o-toluamide, Coccidot, Zoamix, Coccidine A, Dinitolmida, Benzamide, 2-methyl-3,5-dinitro-, Zoalene [ANSI], Dinitolmidum, Salcostat, Dinitrotoluamide, Dinitolmide [INN:BAN], Dinitro-o-toluamide, Methyldinitrobenzamide, Caswell No. 932, UNII-AOX68RY4TV, Dinitolmidum [INN-Latin], Dinitolmida [INN-Spanish], o-Toluamide, 3,5-dinitro-, HSDB 7192, 3,5-Dinitro Toluamide, EINECS 205-706-4, AOX68RY4TV, EPA Pesticide Chemical Code 037510, BRN 1990738, 3,5-Dinitro-2-methylbenzamide, 2-methyl-3,5-dinitro-benzamide, NCGC00094985-01, DSSTox_CID_22521, DSSTox_RID_80047, DSSTox_GSID_42521, CAS-148-01-6, SR-01000872611, Bornylformiat, Abilene, Coccidin, Coccidine, Zamix, Whitsyn T, dinitolmide-zoalene, Dinitolmide (INN), Dinitolmide (Zoalene), Spectrum_001272, Dinitolmide, BAN, INN, Spectrum2_000677, Spectrum3_001545, Spectrum4_000732, Spectrum5_001231, Dinitrotoluamide (Related), AC1L1F5K, SCHEMBL43712, 3,5-Dinitro-ortho-toluamide, BSPBio_002990, KBioGR_001024, KBioSS_001752, 3-09-00-02316 (Beilstein Handbook Reference), MLS002695903, DivK1c_000214, SPECTRUM1503036, SPBio_000773, CHEMBL472565, Methyldinitrobenzamide (Related), DTXSID6042521, CTK5I2357, D.O.T. (TN), HMS500K16, KBio1_000214, KBio2_001752, KBio2_004320, KBio2_006888, KBio3_002490, 3,5-Dinitro-o-toluamide, 98%, NINDS_000214, ZEFNOZRLAWVAQF-UHFFFAOYSA-N, HMS1922A07, HMS3089A22, HMS3652K20, Pharmakon1600-01503036, HY-B1004, ZERO/002890, ZINC2040950, Tox21_111374, Tox21_301320, AN-808, BBL003876, CCG-40029, MFCD00072065, NSC758213, s4141, SBB002442, STK395739, 2-Methyl-3,5-dinitrobenzamide, 9CI, AKOS003282656, Tox21_111374_1, CS-4501, MCULE-1522724975, NSC-758213, IDI1_000214, NCGC00094985-02, NCGC00094985-03, NCGC00094985-05, NCGC00255914-01, AC-20062, AJ-33257, CJ-32448, P425, SC-22566, SMR001253784, SBI-0051752.P002, DB-021326, LS-154003, ST4083911, FT-0614722, SW219233-1, T7414, D07857, AB00052301_04, Dinitolmide, VETRANAL(TM), analytical standard, 148M016, I14-0951, SR-01000872611-2, SR-01000872611-3, W-108109, BRD-K93240442-001-02-7, BRD-K93240442-001-04-3, Dinitolmide [BAN:INN], 3,5-Dintro-o-toluamide, C8H7N3O5, Zoalene (Dinitolmide) - generic, CID3092, Benzamida, 2-metil-3,5-dinitro-, C8-H7-N3-O5, CS-O-01300, B1730, 3,5-Dinitro-o-toluamide, 98% - 10G 10g,

Complexity	321
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.039g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	225.16g/mol
Monoisotopic Mass	225.039g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	135A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302
Precuationary statements	P280-P305+P351+P338
Siginal words

Certificate of Analysis

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