AG00ECBJ

6425-66-7 | 1,2-Bis(bromomethyl)-4-nitrobenzene

AG00ECBJ

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CAS Number	6425-66-7
Catalog Number	AG00ECBJ(AGN-PC-0NBNM3)
Chemical Name	1,2-Bis(bromomethyl)-4-nitrobenzene
IUPAC Name	1,2-bis(bromomethyl)-4-nitrobenzene
InChI	InChI=1S/C8H7Br2NO2/c9-4-6-1-2-8(11(12)13)3-7(6)5-10/h1-3H,4-5H2
InChI Key	MZEFZKJSWNPTPL-UHFFFAOYSA-N
MDL Number	MFCD08234715
Molecular Formula	C8H7Br2NO2
Molecular Weight	308.9547
SMILES	[O-][N+](=O)C1=CC(CBr)=C(CBr)C=C1
Synonyms	1,2-BIS(BROMOMETHYL)-4-NITROBENZENE, 6425-66-7, 1,2-bis(bromomethyl)-4-nitro-benzene, AK-79175, SCHEMBL260864, CTK5C0995, DTXSID30445869, MZEFZKJSWNPTPL-UHFFFAOYSA-N, CS-M0148, KS-00000LX4, 9842AB, ANW-57047, MFCD08234715, 1,2-bis-bromomethyl-4-nitro-benzene, 4-nitro-alpha,alpha'-dibromo-o-xylene, AKOS016002607, ZINC100021101, 1,2-Bis(brornornethyl)-4-nitrobenzene, FCH1386458, MB05657, Benzene,1,2-bis(bromomethyl)-4-nitro-, DA-19408, DS-17621, SC-65656, SY026488, AX8053036, ST2414742, TC-145792, 4CH-014390, FT-0749431, MFCD08234715 (95%), X-1293, C8H7Br2NO2, 1,2-Bis -4-nitrobenzene, CID10852360,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	308.882g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	308.957g/mol
Monoisotopic Mass	306.884g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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