AG003487

5434-47-9 | 5-Bromo-6-(bromomethyl)benzo[d][1,3]dioxole

AG003487

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CAS Number	5434-47-9
Catalog Number	AG003487(AGN-PC-0JM12C)
Chemical Name	5-Bromo-6-(bromomethyl)benzo[d][1,3]dioxole
IUPAC Name	5-bromo-6-(bromomethyl)-1,3-benzodioxole
InChI	InChI=1S/C8H6Br2O2/c9-3-5-1-7-8(2-6(5)10)12-4-11-7/h1-2H,3-4H2
InChI Key	FDCXAYVCUJDBJU-UHFFFAOYSA-N
MDL Number	MFCD00230428
Molecular Formula	C8H6Br2O2
Molecular Weight	293.9400
NSC Number	15640
SMILES	BrCC1=C(Br)C=C2OCOC2=C1
Synonyms	5434-47-9, 5-Bromo-6-(bromomethyl)benzo[d][1,3]dioxole, 5-Bromo-6-bromomethyl-1,3-benzodioxole, 5-Bromo-6-(bromomethyl)-1,3-benzodioxole, Toluene, alpha,2-dibromo-4,5-methylenedioxy-, NSC 15640, BRN 0152154, alpha,2-Dibromo-4,5-methylenedioxytoluene, AI3-21177, Toluene, alpha2-dibromo-4,5-methylenedioxy-, 1,3-Benzodioxole, 5-bromo-6-(bromomethyl)-, FDCXAYVCUJDBJU-UHFFFAOYSA-N, .alpha.2-Dibromo-4,5-methylenedioxytoluene, NSC15640, 6-Brompiperonylbromid, ACMC-20am5e, AC1L3THU, Toluene,5-methylenedioxy-, AC1Q27OP, 4-19-00-00203 (Beilstein Handbook Reference), SCHEMBL1520657, 1, 5-bromo-6-(bromomethyl)-, CTK1H0858, DTXSID90202713, KS-000018LI, ZINC1707049, MFCD00230428, NSC-15640, AKOS024258198, FCH1330983, MCULE-7931428363, AJ-30680, AK151423, Alpha,2-dibromo-4,5-methylenedioxy-toluene, AX8288038, LS-154057, TC-168377, ST45009113, 5-Bromo-6-(bromomethyl)-1,3-benzodioxole #, 1,3-Benzodioxole, 5-bromo-6- (bromomethyl)-, 5-Bromo-6-bromomethyl-1,3-benzodioxole, 96%, Toluene, .alpha.2-dibromo-4,5-methylenedioxy-, 5-BROMO-6-BROMOMETHYL-1 3-BENZODIOXOLE, 5-bromo-6-(bromomethyl)-2H-benzo[d]1,3-dioxolene, 1,3-Benzodioxole, 5-bromo-6-(bromomethyl)- (9CI), C8-H6-Br2-O2, CID95063, AR-1G7469, 55894-18-3,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	293.871g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	293.942g/mol
Monoisotopic Mass	291.873g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	18.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3261

Certificate of Analysis

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