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4-Bromonitrobenzene-[13C6]

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General Information
Catalog: BLP-005750
CAS: 1173022-54-2
Molecular Formula: [13C]6CH4BrN
Molecular Weight: 207.96

Chemical Structure

Description	4-Bromonitrobenzene-[13C6] is an isotope analogue of 4-Bromobenzonitril. 4-Bromobenzonitrile reacts further for various applications such as manufacture of polymers and intermediates for pharmaceuticals and other organic chemicals.
IUPAC Name	1-bromo-4-nitro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
Related CAS	623-00-7 (unlabelled)
Isomeric SMILES	[13CH]1=[13CH][13C](=[13CH][13CH]=[13C]1[N+](=O)[O-])Br
Canonical SMILES	C1=CC(=CC=C1C#N)Br
InChI	InChI=1S/C6H4BrNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H/i1+1,2+1,3+1,4+1,5+1,6+1
InChI Key	ZDFBKZUDCQQKAC-IDEBNGHGSA-N
Boiling Point	255-256°C
Melting Point	125-127°C
Purity	98% by CP; 99% atom 13C
Appearance	White to Off-white Solid