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OR015002

CAT: 0013-GTR19243152-03Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19243152-03Size:5 mg
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Description
OR015002 is a research chemical exhibiting toxicity towards the ciliate Tetrahymena pyriformis, with a reported log (IGC50−1) value of 0.75. This small molecule is utilized in ecotoxicology studies and environmental risk assessment, serving as a model compound for in vitro aquatic toxicity screening.
CAS Number
121-87-9
Product Name Alternative
OR 015002, OR015002, OR-015002, 2-Chloro-4-nitroaniline
Purity
90.00% (May vary between batches)
Solubility
DMSO:50 mg/mL (289.74 mM)
Smiles
NC1=C (Cl) C=C (C=C1) [N+] ([O-]) =O
Molecular Formula
C6H5ClN2O2
Molecular Weight
172.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Chloro-4-nitroaniline

2-chloro-4-nitroaniline is a yellow crystalline powder. (NTP, 1992)

CAS Number121-87-9
PubChem CID8492
IUPAC Name2-chloro-4-nitroaniline
Molecular FormulaC6H5ClN2O2
Molecular Weight172.57
XLogP2.1
Topological Polar Surface Area71.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity159
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])Cl)N
InChI
InChI=1S/C6H5ClN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2
InChIKey
LOCWBQIWHWIRGN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-4-nitroaniline
CAS: 121-87-9
CID: 8492
Formula: C6H5ClN2O2
MW: 172.57
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.57
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass172.0039551
Monoisotopic Mass172.0039551
Topological Polar Surface Area71.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity159
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TD1004-01OR015002

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