AG0037VQ

4028-63-1 | 2,4,6-Trimethyliodobenzene

AG0037VQ

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CAS Number	4028-63-1
Catalog Number	AG0037VQ(AGN-PC-0JLQUB)
Chemical Name	2,4,6-Trimethyliodobenzene
EC Number	223-709-9
IUPAC Name	2-iodo-1,3,5-trimethylbenzene
InChI	InChI=1S/C9H11I/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3
InChI Key	GTPNXFKONRIHRW-UHFFFAOYSA-N
MDL Number	MFCD00013707
Molecular Formula	C9H11I
Molecular Weight	246.0881
NSC Number	68044
SMILES	CC1=C(C(=CC(=C1)C)C)I
Synonyms	2-iodo-1,3,5-trimethylbenzene, iodomesitylene, 2,4,6-Trimethyliodobenzene, 4028-63-1, 2-Iodomesitylene, 2-Iodo-1,3,5-trimethylbenzene, Mesityl Iodide, iodomesitylene, Benzene, 2-iodo-1,3,5-trimethyl-, MFCD00013707, Iodo-2,4,6-trimethylbenzene, 1-iodo-2,4,6-trimethylbenzene, GTPNXFKONRIHRW-UHFFFAOYSA-N, 2,4,6-TRIMETHYLIODOBENZENE (2-IODOMESITYLENE), Jodmesitylen, Mesityliodine, NSC68044, EINECS 223-709-9, PubChem12601, ACMC-209jcr, AC1L2TIE, AC1Q2HZR, Maybridge1_002852, KSC490O0B, DivK1c_001604, SCHEMBL760815, CTK3J0700, GTPNXFKONRIHRW-UHFFFAOYSA-, HMS549J14, KS-00000MOY, DTXSID60193265, 2-iodo-1,3,5-trimethyl-benzene, 2-Iodo-1,3,5-trimethylbenzene #, ZINC1048861, ANW-29353, CCG-54594, NSC-68044, SBB100081, AKOS015853821, CS-W007852, MCULE-6952432124, RTR-016097, VZ22432, CDS1_000564, AC-22945, AJ-24811, AK-50725, AS-19323, CD 07694, CJ-04697, SC-88437, SY029295, ZB015792, AB0033391, DB-028116, ST2415728, TR-016097, 4CH-014846, AM20040409, FT-0612679, I0478, X6930, MFCD00013707 (98%), Y-9074, I01-5907, SR-01000643683-1, InChI=1/C9H11I/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3, C9H11I, C9-H11-I, CID77647, ACN-029158, 2,4,6-Trimethyliodobenzene, 97% - 25G 25g,

Complexity	99.3
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	245.991g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	246.091g/mol
Monoisotopic Mass	245.991g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number