AG0028SZ

2033-45-6 | 1H-​Pyrazole, 4-​iodo-​3,​5-​dimethyl-

AG0028SZ

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CAS Number	2033-45-6
Catalog Number	AG0028SZ(AGN-PC-0JM2B2)
Chemical Name	1H-​Pyrazole, 4-​iodo-​3,​5-​dimethyl-
IUPAC Name	4-iodo-3,5-dimethyl-1H-pyrazole
InChI	InChI=1S/C5H7IN2/c1-3-5(6)4(2)8-7-3/h1-2H3,(H,7,8)
InChI Key	MZZXIXHKDJNBJQ-UHFFFAOYSA-N
MDL Number	MFCD00040247
Molecular Formula	C5H7IN2
Molecular Weight	222.0269
NSC Number	100887
SMILES	Ic1c(C)n[nH]c1C
Synonyms	3,5-Dimethyl-4-iodopyrazole, 2033-45-6, 4-iodo-3,5-dimethyl-1H-pyrazole, 4-Iodo-3,5-dimethylpyrazole, 3,5-Dimethyl-4-iodo-1H-pyrazole, Pyrazole, 3,5-dimethyl-4-iodo-, 3,5-Dimethyl-4-lodopyrazole, 1H-Pyrazole, 4-iodo-3,5-dimethyl-, NSC 100887, BRN 0108535, MFCD00040247, AK-34009, AH-034/06267052, NSC100887, zlchem 469, AC1L3XUR, ACMC-209f8u, NCIOpen2_006773, 5-23-05-00159 (Beilstein Handbook Reference), KSC490O8H, 4-iodo-3,5-dimethyl pyrazole, 4-Iodo-3,5-dimethyl-pyrazole, SCHEMBL1205854, 3,5-Di methyl-4-iodo pyrazole, CTK3J0783, KS-00000DQF, DTXSID30174228, ZLC0333, MZZXIXHKDJNBJQ-UHFFFAOYSA-N, BM150, ZINC157367, ZXBA000128, 4-iodo-3,5-dimethyl-2H-pyrazole, ACT07877, ALBB-000005, BB_SC-09348, ZX-AN000005, ZX-AT024209, ZX-CM000461, ANW-24028, BBL009204, CI-124, RW1242, SBB025983, STK074000, AKOS002657058, AC-4815, ACM2033456, CS-W002184, FCH1318857, HCH0023928, MCULE-4672469389, NSC-100887, RTR-009474, TRA0021074, VP20053, NCGC00339610-01, AJ-15002, AN-11636, BR-34009, CC-13636, CJ-01648, DS-12836, R332, SY005941, ZB006664, 3,5-Dimethyl-4-iodo-1H-pyrazole, 97%, 4-Iodo-3,5-dimethyl-1H-pyrazole, 97%, AB0018110, AB1000628, AX8002787, DB-006310, LS-128479, TR-009474, AM20090154, BB 0258172, FT-0081010, FT-0618768, I0771, ST24032543, ST45137479, (1Z)-2,2,2-trifluoro-N-hydroxyethanimidamide, C-5421, EN300-231917, 72301-EP2308867A2, 72301-EP2308870A2, AB01331761-02, MFCD00040247 (97+%), 033D456, C-12331, I14-1577, J-013223, null, C5H7IN2, C5-H7-I-N2, CID97115, A4424, 3,5-Dimethyl-4-iodopyrazole, 97% - 1G 1g,

Complexity	86.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.965g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	222.029g/mol
Monoisotopic Mass	221.965g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	28.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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