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(2-Nitrophenyl)phenylamine

CAT: 0572-TRC-N504458-100GSize: 100 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-N504458-100GSize:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
119-75-5
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
[O-][N+](=O)c1ccccc1Nc2ccccc2
Molecular Formula
C12 H10 N2 O2
Molecular Weight
214.22
InChI
InChI=1S/C12H10N2O2/c15-14(16)12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-9,13H
Additionnal Information
IUPAC name: 2-nitro-N-phenylaniline
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Nitrodiphenylamine

2-nitrodiphenylamine appears as red-brown crystalline powder or reddish-brown solid. (NTP, 1992)

CAS Number119-75-5
PubChem CID8407
IUPAC Name2-nitro-N-phenylaniline
Molecular FormulaC12H10N2O2
Molecular Weight214.22
XLogP3.7
Topological Polar Surface Area57.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity234
SMILES
C1=CC=C(C=C1)NC2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C12H10N2O2/c15-14(16)12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-9,13H
InChIKey
RUKISNQKOIKZGT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Nitrodiphenylamine
CAS: 119-75-5
CID: 8407
Formula: C12H10N2O2
MW: 214.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.22
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass214.074227566
Monoisotopic Mass214.074227566
Topological Polar Surface Area57.9 Ų
Heavy Atom Count16
Formal Charge0
Complexity234
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

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