AG003E39

858841-53-9 | 1-Bromo-2-iodo-4-methylbenzene

AG003E39

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CAS Number	858841-53-9
Catalog Number	AG003E39(AGN-PC-00UQU2)
Chemical Name	1-Bromo-2-iodo-4-methylbenzene
IUPAC Name	1-bromo-2-iodo-4-methylbenzene
InChI	InChI=1S/C7H6BrI/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChI Key	FLOUOTRVXNQGKP-UHFFFAOYSA-N
MDL Number	MFCD07784420
Molecular Formula	C7H6BrI
Molecular Weight	296.9310
SMILES	CC1=CC(I)=C(Br)C=C1
Synonyms	1-Bromo-2-iodo-4-methylbenzene, 858841-53-9, 4-Bromo-3-iodotoluene, Benzene,1-bromo-2-iodo-4-methyl-, ACMC-209q7o, SCHEMBL1148097, 4-Bromo-3-iodotoluene, 97%, CTK5F5887, KS-00000HSM, DTXSID70584746, FLOUOTRVXNQGKP-UHFFFAOYSA-N, ANW-38242, MFCD07784420, ZINC57989254, AKOS015835229, AS03378, CS-W005149, RTR-026793, AK-40336, DS-13546, SC-52017, AJ-113091, TR-026793, B5168, ST24037855, Z0904, B-5165, I01-10775, C7H6BrI,

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	6.1
Hazard statements	H301-H412
Packing Group	Ⅲ
Precautionary statements	P301+P310
Signal Words	danger
UN Code	UN 2810

Certificate of Analysis

Lot Number