N-Nitrosodiphenylamine - ≥98% , CAS No.86-30-6

CAS: 86-30-6 Cat. No.: N111862 Molecular Weight: 198.22 Beilstein Registry Number: 909531 EC Number: 201-663-0

GRADE & PURITY ≥98%

Synonyms

N-Nitrosodiphenylamine, technical, >=97.0% (N) | Vulkalent A | NCGC00254349-01 | Vulcalent A | Z276119944 | SCHEMBL80329 | N-Nitroso-N-phenylbenzenamine | NCGC00091777-04 | Redax | Diphenyl N-nitrosoamine | Vulcatard A | WLN: ONNR&R | N-NITROSODIPHENYLAMI

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

N-Nitrosodiphenylamine, technical, >=97.0% (N) | Vulkalent A | NCGC00254349-01 | Vulcalent A | Z276119944 | SCHEMBL80329 | N-Nitroso-N-phenylbenzenamine | NCGC00091777-04 | Redax | Diphenyl N-nitrosoamine | Vulcatard A | WLN: ONNR&R | N-NITROSODIPHENYLAMI

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504751184
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751184
• Canonical Smiles: C1=CC=C(C=C1)N(C2=CC=CC=C2)N=O
• IUPAC Name: N,N-diphenylnitrous amide
• InChIKey: UBUCNCOMADRQHX-UHFFFAOYSA-N
• INCHI: 1S/C12H10N2O/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
• Isomeric SMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2)N=O
• WGK Germany: 3
• RTECS: JJ9800000
• UN Number: 3077
• Packing Group: III
• Molecular Weight: 198.22
• Beilstein: 909531
• Reaxy-Rn: 909531
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=909531&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylhydrazines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylhydrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylhydrazines
• Alternative Parents: Organic N-nitroso compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylhydrazine - Organic n-nitroso compound - Organic nitroso compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylhydrazines. These are compounds containing a phenylhydrazide moiety, which consists of a hydrazide substituent attached to a phenyl group.
• External Descriptors: phenylhydrazines

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

Discover Target: ALOX15

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water; Degree of Solubility in water: 35.1 mg/l 25 °C; Soluble in Acetone,1,2-Dichloroethane,Methanol; Slightly soluble in Ethanol
• Sensitivity: Air Sensitive
• Melt Point(°C): 66.5°C
• Molecular Weight: 198.220 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 198.079 Da
• Monoisotopic Mass: 198.079 Da
• Topological Polar Surface Area: 32.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 178.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Huifa Meng, Kaijin Chen, Chuying Li, Yanwei He, Zihao Huang, Haitao Huang, Zhenguo Chi, Siwei Liu, Yi Zhang.  (2025)  Low-CTE, Strong-Adhesion, and High-Resolution Photosensitive Polyimide Materials for Advanced Packaging Applications: Structure and Properties.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.5c00001]

2. Zhenjie Zheng, Jingxuan Wang, Mengqi Ma, Yunpeng Xu, Da Huang, Jian Wang, Cuiying Lin, Zhenyu Lin, Fang Luo.  (2025)  Nanoconfined-structured Ru@COF-LZU1 microenvironment facilitated homogeneous electrochemiluminescence biosensor for ultrasensitive N-nitrosodimethylamine detection.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2025.138456]