AG003EFH

31599-60-7 | 1-Iodo-2,3-dimethylbenzene

AG003EFH

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CAS Number	31599-60-7
Catalog Number	AG003EFH(AGN-PC-0JMS53)
Chemical Name	1-Iodo-2,3-dimethylbenzene
IUPAC Name	1-iodo-2,3-dimethylbenzene
InChI	InChI=1S/C8H9I/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3
InChI Key	DANMWBNOPFBJSZ-UHFFFAOYSA-N
MDL Number	MFCD00041437
Molecular Formula	C8H9I
Molecular Weight	232.0615
SMILES	CC1=CC=CC(I)=C1C
Synonyms	1-Iodo-2,3-dimethylbenzene, 31599-60-7, 3-Iodo-o-xylene, 1,2-dimethyl-3-iodobenzene, 2,3-Dimethyliodobenzene, Benzene, 1-iodo-2,3-dimethyl-, Benzene, iododimethyl-, 2,3-dimethyl-1-iodobenzene, DANMWBNOPFBJSZ-UHFFFAOYSA-N, MFCD00041437, Jodxylol, 3-iodo-ortho-xylene, PubChem3865, AC1L3JJK, AC1Q2DPA, ACMC-1AJF2, 3-IODO-2-XYLENE, SCHEMBL80793, 1-iodo-2,3-dimethyl-benzene, 1-Iodo-2,3-dimethylbenzene #, 1-iodanyl-2,3-dimethyl-benzene, CTK3J7266, DANMWBNOPFBJSZ-UHFFFAOYSA-, KS-00000WSX, DTXSID40185481, ATTERCOP-CHM AT127643, ACT14332, ZINC2168544, ANW-27160, AKOS005145658, AS02150, RTR-013403, TRA0083294, AK307179, AS-10001, AB1007929, DB-068485, TR-013403, FT-0615906, I0547, C-4955, A820920, InChI=1/C8H9I/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3, null, CID141645, 1-Iodo-2,3-dimethylbenzene, 97% - 25ML 25ml,

Complexity	90.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.975g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	232.064g/mol
Monoisotopic Mass	231.975g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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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