C.I. Disperse orange 33

CAT: 0013-GTR19345685-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19345685-01Size:50 mg

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Description

C.I. Disperse Orange 33 is a synthetic orange dye primarily used for coloring polyester and acetate fibers. In research, it serves as a model compound in environmental studies to investigate dye degradation and ecotoxicology in both laboratory and field settings.

CAS Number

69472-19-1

Molecular Weight

351.4

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Propanenitrile, 3-[butyl[4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]-

CAS Number	69472-19-1
PubChem CID	50576
IUPAC Name	3-[N-butyl-4-[(4-nitrophenyl)diazenyl]anilino]propanenitrile
Molecular Formula	C19H21N5O2
Molecular Weight	351.4
XLogP	4.6
Topological Polar Surface Area	97.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Heavy Atom Count	26
Formal Charge	0
Complexity	494

SMILES

CCCCN(CCC#N)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O2/c1-2-3-14-23(15-4-13-20)18-9-5-16(6-10-18)21-22-17-7-11-19(12-8-17)24(25)26/h5-12H,2-4,14-15H2,1H3

InChIKey

MVKMKUHSGHKEDT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 69472-19-1

CID: 50576

Formula: C19H21N5O2

MW: 351.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	351.4
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	351.16952493
Monoisotopic Mass	351.16952493
Topological Polar Surface Area	97.6 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	494
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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HY-D0555	C.I. Disperse orange 73
FD41405-01	C.I.Disperse Orange 25
T85968-01	C.I. Disperse orange 33
HY-D0497-01	C.I. Disperse orange 37
FD41418-01	C.I.Disperse Orange 76
HY-D0497R	C.I. Disperse orange 37 (Standard)
T86250-01	Disperse orange A
FD41154-01	Disperse Orange 11
HY-D0332-01	Disperse Orange 1
HY-D0364	Disperse Orange 44

C.I. Disperse orange 33

Chemical Information

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