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Basic Description
| Synonyms | 3-nitrobenzene-1,2-diamine | 3694-52-8 | 3-Nitro-o-phenylenediamine | 1,2-Diamino-3-nitrobenzene | 3-Nitro-1,2-phenylenediamine | 1,2-Benzenediamine, 3-nitro- | 2-Amino-6-nitroaniline | 3-Nitrophenylenediamine | 3-Nitro-1,2-benzenediamine | 3-nitro-benzene-1,2-diamine | o-PH |
|---|---|
| Specifications & Purity | ≥98% |
| Storage Temp | Room temperature |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Nitrobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzenes |
| Alternative Parents | Nitroaromatic compounds Aniline and substituted anilines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organic zwitterion - Primary amine - Organonitrogen compound - Amine - Organic oxygen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 504762978 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504762978 |
| IUPAC Name | 3-nitrobenzene-1,2-diamine |
| INCHI | InChI=1S/C6H7N3O2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H,7-8H2 |
| InChIKey | IOCXBXZBNOYTLQ-UHFFFAOYSA-N |
| Smiles | C1=CC(=C(C(=C1)[N+](=O)[O-])N)N |
| Isomeric SMILES | C1=CC(=C(C(=C1)[N+](=O)[O-])N)N |
| WGK Germany | 3 |
| RTECS | ST2974000 |
| Molecular Weight | 153.14 |
| Beilstein | 909344 |
| Reaxy-Rn | 909344 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=909344&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I2222966 |
Certificate of Analysis | Jul 09, 2025 | N169957 |
| L2402294 |
Certificate of Analysis | Jul 20, 2022 | N169957 |
| I2222958 |
Certificate of Analysis | Jul 20, 2022 | N169957 |
| I2222873 |
Certificate of Analysis | Jul 20, 2022 | N169957 |
| I2222967 |
Certificate of Analysis | Jul 20, 2022 | N169957 |
Chemical and Physical Properties
| Melt Point(°C) | 156-159 °C (lit.) |
|---|---|
| Molecular Weight | 153.140 g/mol |
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 153.054 Da |
| Monoisotopic Mass | 153.054 Da |
| Topological Polar Surface Area | 97.900 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 156.000 |
| 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 |
Solution Calculators
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