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Reference substances

Reference substances

Currently viewing:
IUPAC name:
N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-(diethylamino)phenyl]acetamide

Inventory

EC number:
258-110-1
EC name:
N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-(diethylamino)phenyl]acetamide
CAS number:
52697-38-8
CAS number:
52697-38-8
Synonyms
Names:
Acetamide, N- 2- (2-bromo-4,6-dinitrophenyl)azo -5-(diethylamino)phenyl -
Acetamide, N-[2-[(2-bromo-4,6-dinitrophenyl) azo]-5-(diethylamino)phenyl]-
Acetamide, N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-(diethylamino)phenyl]-
Identifier:
CAS number
52697-38-8
Identifier:
IUPAC name
(E)-N-(2-((2-bromo-4,6-dinitrophenyl)diazenyl)-5-(diethylamino)phenyl)acetamide
Identifier:
IUPAC name
N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-(diethylamino)phenyl]acetamide
Identifier:
IUPAC name
N-{2-[(E)-2-(2-bromo-4,6-dinitrophenyl)diazen-1-yl]-5-(diethylamino)phenyl}acetamide
Identifier:
IUPAC name
N-{2-[(E)-2-(2-bromo-4,6-dinitrophenyl)diazen-1-yl]-5-(diethylamino)phenyl}acetamide
Identifier:
other: SMILES notation
BrC1=C(/N=N/C2=C(NC(C)=O)C=C(N(CC)CC)C=C2)C([N+]([O-])=O)=CC([N+]([O-])=O)=C1
Identifier:
other: Molecular formula
C18H19BrN6O5
Identifier:
other: Molecular formula
C18H19N6O5Br
Identifier:
other: SMILES notation
CCN(CC)c1ccc(\N=N\c2c(Br)cc(cc2[N+]([O-])=O)[N+]([O-])=O)c(NC(C)=O)c1
Identifier:
other: SMILES notation
CCN(CC)c1ccc(\N=N\c2c(Br)cc(cc2[N+]([O-])=O)[N+]([O-])=O)c(NC(C)=O)c1
Identifier:
other: SMILES notation
CCOc1cc(N=Nc2c(Br)cc(cc2N(=O)=O)N(=O)=O)c(NC(=O)C)c(c1)N(CCOC(=O)C)CCOC(=O)C
Identifier:
other: InChl
InChI=1S/C18H19BrN6O5/c1-4-23(5-2)12-6-7-15(16(9-12)20-11(3)26)21-22-18-14(19)8-13(24(27)28)10-17(18)25(29)30/h6-10H,4-5H2,1-3H3,(H,20,26)/b22-21+
Identifier:
other: InChl
InChI=1S/C18H19BrN6O5/c1-4-23(5-2)12-6-7-15(16(9-12)20-11(3)26)21-22-18-14(19)8-13(24(27)28)10-17(18)25(29)30/h6-10H,4-5H2,1-3H3,(H,20,26)/b22-21+ AuxInfo=1/1/N:28,30,3,27,29,6,5,13,8,15,1,7,14,18,10,9,16,17,19,4,11,12,26,20,23,2,21,22,24,25/E:(1,2)(4,5)(27,28)(29,30)/CRV:24.5,25.5/rA:30COCNCCCCCCNNCCCCCCBrN+O-ON+O-ONCCCC/rB:d1;s1;s1;;s5;d-6;s7;s4d+8;d-5s9;s10;d+11;;s13;d-14;s15;s12d+16;d-13s17;s18;s14;s20;d20;s16;s23;d23;s7;s26;s27;s26;s29;/rC:5.3043,-3.0893,0;5.3043,-4.6633,0;3.9637,-2.3315,0;6.645,-2.3315,0;9.3847,-5.421,0;10.7253,-4.6633,0;10.7253,-3.0893,0;9.3847,-2.3315,0;7.9858,-3.0893,0;8.044,-4.6633,0;6.7034,-5.421,0;6.7034,-6.9948,0;2.6813,-7.8109,0;2.6813,-9.3264,0;4.0219,-10.1423,0;5.3627,-9.3264,0;5.3627,-7.7525,0;4.0219,-7.053,0;3.9637,-5.4792,0;1.3406,-10.1423,0;1.3406,-11.6581,0;0,-9.3847,0;6.7034,-10.0841,0;8.044,-9.3264,0;6.7616,-11.6581,0;12.0077,-2.3315,0;13.4066,-3.0893,0;14.689,-2.3315,0;12.0077,-.7577,0;10.6671,0,0;
N-{2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-(diethylamino)phenyl}acetamide

Molecular and structural information

Molecular formula:
C18H19BrN6O5
Molecular weight:
479.285
SMILES notation:
Brc2cc(cc(c2N=Nc1ccc(cc1NC(C)=O)N(CC)CC)[N+]([O-])=O)[N+]([O-])=O
InChl:
InChI=1/C18H19BrN6O5/c1-4-23(5-2)12-6-7-15(16(9-12)20-11(3)26)21-22-18-14(19)8-13(24(27)28)10-17(18)25(29)30/h6-10H,4-5H2,1-3H3,(H,20,26)
Structural formula:
Chemical structure

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