2,6-Dibromo-4-nitroaniline - CAS 827-94-1

Name: 2,6-Dibromo-4-nitroaniline
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB036910
Product Name:	2,6-Dibromo-4-nitroaniline
CAS:	827-94-1
Synonyms:	Benzenamine, 2,6-dibromo-4-nitro-; 2,6-Dibromo-4-nitrobenzenamine; Aniline, 2,6-dibromo-4-nitro-; 2,6-Dibromo-4-nitro-phenylamine; 2,6-Dibromo-p-nitroaniline; 4-Nitro-2,6-dibromoaniline; NSC 38765

Technical Data

IUPAC Name:	2,6-dibromo-4-nitroaniline
Molecular Weight:	295.92
Molecular Formula:	C6H4Br2N2O2
Canonical SMILES:	C1=C(C=C(C(=C1Br)N)Br)[N+](=O)[O-]
InChI:	InChI=1S/C6H4Br2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2
InChI Key:	YMZIFDLWYUSZCC-UHFFFAOYSA-N
Boiling Point:	207°C
Melting Point:	202-209°C
Purity:	95%
Density:	2.177±0.06 g/cm3
Appearance:	Yellow powder
Storage:	Store in a cool, dry place. Store in a tightly closed container.
MDL:	MFCD00007639
LogP:	3.80640

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
16957837	20070601	Facile and sensitive spectrophotometric determination of carbosulfan in formulations and environmental samples	Environmental monitoring and assessment
16897507	20070401	Development of simple and sensitive spectrophotometric method for the determination of bendiocarb in its formulations and environmental samples	Environmental monitoring and assessment
15863052	20050601	FTIR and FT-Raman spectra, vibrational assignments and density functional theory calculations of 2,6-dibromo-4-nitroaniline and 2-(methylthio)aniline	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Complexity:	173
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	295.86190
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	293.86395
Rotatable Bond Count:	0
Topological Polar Surface Area:	71.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2