AG00FA2J

71838-16-9 | 3-Bromo-4-iodotoluene

AG00FA2J

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CAS Number	71838-16-9
Catalog Number	AG00FA2J(AGN-PC-0JU0QQ)
Chemical Name	3-Bromo-4-iodotoluene
IUPAC Name	2-bromo-1-iodo-4-methylbenzene
InChI	InChI=1S/C7H6BrI/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3
InChI Key	PLAKKSAFIZVHJP-UHFFFAOYSA-N
MDL Number	MFCD00079718
Molecular Formula	C7H6BrI
Molecular Weight	296.9310
SMILES	CC1=CC=C(I)C(Br)=C1
Synonyms	3-Bromo-4-iodotoluene, 2-Bromo-1-iodo-4-methylbenzene, 71838-16-9, 1-bromo-2-iodo-5-methylbenzene, PLAKKSAFIZVHJP-UHFFFAOYSA-N, Benzene,2-bromo-1-iodo-4-methyl-, Benzene, 2-bromo-1-iodo-4-methyl-, AK117493, 2-Bromo-4-methyliodobenzene, PubChem3792, AC1LCEMQ, ACMC-209okc, SCHEMBL2722113, 1-Iodo-2-bromo-4-methylbenzene, CTK5D5139, DTXSID80347849, 2-bromo-1-iodo-4-methyl-benzene, BCP18601, ZINC2568094, ZX-AT011501, 2-Bromo-1-iodo-4-methylbenzene #, ANW-36106, MFCD00079718, OR4592, AKOS015834647, 2-bromanyl-1-iodanyl-4-methyl-benzene, AS03375, FCH1320616, VZ26443, KS-0000115Y, AJ-41561, AS-19885, BC002597, CC-14440, SC-75178, AB0042910, AX8010417, DB-022344, TR-037585, B5284, FT-0615163, ST24032395, TL80090644, Z0805, B-3848, A837341, C-18590, I01-5587, C7H6BrI, CID626634, 3-Bromo-4-iodotoluene, 98% - 25G 25g,

Complexity	94.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	295.87g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	296.933g/mol
Monoisotopic Mass	295.87g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312+P330-P501
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number