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Reference substances

Reference substances

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General information

Inventory

EC number:
255-940-6
EC name:
2,2'-[[4-[(3,5-dinitro-2-thienyl)azo]phenyl]imino]bisethyl diacetate
CAS number:
42783-06-2

No inventory information available

Reference substance information

IUPAC name:
2-{[2-(acetyloxy)ethyl]({4-[(E)-2-(3,5-dinitrothiophen-2-yl)diazen-1-yl]phenyl})amino}ethyl acetate
Synonyms
Names:
Ethanol, 2,2'- 4- (3,5-dinitro-2-thienyl)azo phenyl imino bis-, diacetate (ester)
Ethanol, 2,2'-[[4-[(3,5-dinitro-2- thienyl)azo]phenyl]imino]bis-, diacetate (ester)
Ethanol, 2,2'-[[4-[(3,5-dinitro-2-thienyl)azo]phenyl]imino]bis-, diacetate (ester)
Identifier:
CAS number
42783-06-2
Identifier:
IUPAC name
(E)-2,2'-(4-((3,5-dinitrothiophen-2-yl)diazenyl)phenylazanediyl)bis(ethane-2,1-diyl) diacetate
Identifier:
other: SMILES notation
CC(=O)OCCN(CCOC(=O)C)C1=CC=C(C=C1)N=NC2=C(C=C(S2)[N+](=O)[O-])[N+](=O)[O-]
({4-[(3,5-dinitro-2-thienyl)diazenyl]phenyl}imino)diethane-2,1-diyl diacetate

CAS information

CAS number:
42783-06-2

Molecular and structural information

Molecular formula:
C18H19N5O8S
Molecular weight:
465.437
SMILES notation:
CC(=O)OCCN(CCOC(C)=O)c1ccc(cc1)N=Nc2sc(cc2[N+]([O-])=O)[N+]([O-])=O
InChl:
InChI=1/C18H19N5O8S/c1-12(24)30-9-7-21(8-10-31-13(2)25)15-5-3-14(4-6-15)19-20-18-16(22(26)27)11-17(32-18)23(28)29/h3-6,11H,7-10H2,1-2H3
Structural formula:
Chemical structure