2-Nitro-1,4-phenylenediamine - CAS 5307-14-2
Catalog: |
BB028034 |
Product Name: |
2-Nitro-1,4-phenylenediamine |
CAS: |
5307-14-2 |
Synonyms: |
2-nitrobenzene-1,4-diamine |
IUPAC Name: | 2-nitrobenzene-1,4-diamine |
Description: | 2-Nitro-1,4-phenylenediamine (CAS# 5307-14-2) is a useful research chemical. |
Molecular Weight: | 153.14 |
Molecular Formula: | C6H7N3O2 |
Canonical SMILES: | C1=CC(=C(C=C1N)[N+](=O)[O-])N |
InChI: | InChI=1S/C6H7N3O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,7-8H2 |
InChI Key: | HVHNMNGARPCGGD-UHFFFAOYSA-N |
Boiling Point: | 385.4 °C at 760 mmHg |
Melting Point: | 134-140 °C |
Purity: | 97 % |
Density: | 1.446 g/cm3 |
Appearance: | Almost black needles with dark-green luster or black powder. |
Storage: | Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed. |
MDL: | MFCD00007903 |
LogP: | 2.44480 |
Vapor Pressure: | 0.000056 [mmHg] |
GHS Hazard Statement: | H315 (17.81%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21824406 | 20110808 | A genomic biomarker signature can predict skin sensitizers using a cell-based in vitro alternative to animal tests | BMC genomics |
19561974 | 20090501 | Hair dye poisoning and the developing world | Journal of emergencies, trauma, and shock |
18058049 | 20080101 | Single strand dna breaks in human lymphocytes exposed to para-phenylenediamine and its derivatives | Bulletin of environmental contamination and toxicology |
18187968 | 20080101 | Improvement of the experimental setup for skin absorption screening studies with reconstructed skin EPISKIN | Skin pharmacology and physiology |
18569161 | 20080101 | Final report on the safety assessment of HC Red No. 7 | International journal of toxicology |
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: | 0.5 |
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