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4-Nitrosodiphenylamine

CAT: 0572-TRC-N525765-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N525765-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
156-10-5
Synonyms
4-Nitroso-N-phenylbenzenamine; (4-Nitroso-phenyl)-phenyl-amine; 4-Nitroso-N-phenylaniline; 4-Nitrosodiphenylamine; N-Phenyl-4-nitrosoaniline; N-Phenyl-p-nitrosoaniline; NSC 5041; p-Nitroso-N-phenylaniline; p-Nitrosodiphenylamine; p-Phenylaminonitrosobenzene;
Hazard Statement
Harmful if swallowed
Smiles
O=Nc1ccc(Nc2ccccc2)cc1
Molecular Formula
C12H10N2O
Molecular Weight
198.22
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

4-Nitrosodiphenylamine

p-Nitrosodiphenylamine can cause cancer according to an independent committee of scientific and health experts.

CAS Number156-10-5
PubChem CID9074
IUPAC Name4-nitroso-N-phenylaniline
Molecular FormulaC12H10N2O
Molecular Weight198.22
XLogP2.5
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity194
SMILES
C1=CC=C(C=C1)NC2=CC=C(C=C2)N=O
InChI
InChI=1S/C12H10N2O/c15-14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H
InChIKey
OIJHFHYPXWSVPF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Nitrosodiphenylamine
CAS: 156-10-5
CID: 9074
Formula: C12H10N2O
MW: 198.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.22
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass198.079312947
Monoisotopic Mass198.079312947
Topological Polar Surface Area41.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity194
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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