3-Nitro-1,2-phenylenediamine - CAS 3694-52-8
Catalog: |
BB023144 |
Product Name: |
3-Nitro-1,2-phenylenediamine |
CAS: |
3694-52-8 |
Synonyms: |
3-nitrobenzene-1,2-diamine |
IUPAC Name: | 3-nitrobenzene-1,2-diamine |
Description: | 3-Nitro-1,2-phenylenediamine (CAS# 3694-52-8) is a useful research chemical. |
Molecular Weight: | 153.14 |
Molecular Formula: | C6H7N3O2 |
Canonical SMILES: | C1=CC(=C(C(=C1)[N+](=O)[O-])N)N |
InChI: | InChI=1S/C6H7N3O2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H,7-8H2 |
InChI Key: | IOCXBXZBNOYTLQ-UHFFFAOYSA-N |
Boiling Point: | 369.7 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.446 g/cm3 |
Appearance: | Dark red needle-like crystals |
MDL: | MFCD00007722 |
LogP: | 2.44480 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112159325-A | Method for synthesizing 2-amino-3-nitrotoluene | 20201010 |
CN-111362878-A | Preparation method of 4-amino-1, 3-dihydro-benzimidazole-2-ketone | 20200318 |
CN-111007174-A | HPLC method for simultaneously detecting resorcinol and 2-nitro-p-phenylenediamine | 20191224 |
WO-2021121715-A1 | Method for dyeing keratinous material, comprising the use of an organosilicon compound, a hydroxycarboxylic acid ester, a colouring compound and a post-treatment agent | 20191216 |
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PMID | Publication Date | Title | Journal |
22235750 | 20121101 | Liquid-crystalline membrane permeation ability for selected nitro hair dyes | Skin research and technology : official journal of International Society for Bioengineering and the Skin (ISBS) [and] International Society for Digital Imaging of Skin (ISDIS) [and] International Society for Skin Imaging (ISSI) |
22536123 | 20120101 | An efficient protocol for the synthesis of quinoxaline derivatives at room temperature using recyclable alumina-supported heteropolyoxometalates | TheScientificWorldJournal |
21754753 | 20110601 | 3-Nitro-benzene-1,2-diamine | Acta crystallographica. Section E, Structure reports online |
21338235 | 20100101 | Anti-mutagenic and anti-carcinogenic potential of the carotenoid meso-zeaxanthin | Asian Pacific journal of cancer prevention : APJCP |
18361746 | 20080301 | Modulatory effect of Byrsonima basiloba extracts on the mutagenicity of certain direct and indirect-acting mutagens in Salmonella typhimurium assays | Journal of medicinal food |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.053826475 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.053826475 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 97.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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