4-Chloro-o-phenylenediamine
Product Information
Molecular Formula
C6H7ClN2
Molecular Weight
142.59
Description
Undergoes cyclizations and cyclocondensations to form benzimidazoles.
Synonyms
4-chlorobenzene-1,2-diamine; 4-chlorobenzene-1,2-diamine
IUPAC Name
4-chlorobenzene-1,2-diamine
SMILES
C1=CC(=C(C=C1Cl)N)N
InChI
InChI=1S/C6H7ClN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2
InChI Key
BXIXXXYDDJVHDL-UHFFFAOYSA-N
Boiling Point
300.2 °C at 760 mmHg
Melting Point
70-73 °C (lit.)
Flash Point
Not applicable
Purity
97 %
Density
1.345 g/cm3
Solubility
less than 1 mg/mL at 66 °F
Appearance
Crystals
Application
Used as an ingredient in hair dyes, a curing agent for epoxy resins, a reagent in gas chromatographic analyses, and a chemical intermediate for dyes.
LogP
2.66680
Vapor Pressure
0.00206 [mmHg]
Safety Information
Hazards
H315 - H319 - H335 - H351
Precautionary Statement
P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
XLogP3
1.3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
142.0297759 g/mol
Monoisotopic Mass
142.0297759 g/mol
Topological Polar Surface Area
52Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
97.1
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113529102-A | Metal and nitrogen co-doped molybdenum carbide catalyst and preparation method and application thereof | 2021-07-15 |
| CN-113444076-A | Application of biomass loaded copper catalytic three-component reaction in preparation of fluorine-containing medicament | 2021-06-29 |
| CN-113480487-A | Benzotriazole-containing fluorescent compound, and preparation method and application thereof | 2021-06-16 |
| CN-113322677-A | Reinforced heat-resistant optical cable filler and preparation method thereof | 2021-05-31 |
| CN-113121460-A | Polycyclic fused 1, 5-benzodiazepine compound and preparation method thereof | 2021-05-18 |
| CN-113135908-A | Preparation method of tizanidine hydrochloride | 2021-04-01 |
| CN-113121459-A | A method for preparing benzodiazepine compound using gold complex | 2021-03-05 |
| JP-2021080483-A | Complex | 2021-03-04 |
| CN-112724867-A | Insulating adhesive film material and preparation method and application thereof | 2020-12-10 |
| CN-112724868-A | Insulating dielectric composite film material and preparation method and application thereof | 2020-12-10 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 25622337 | 2015-05-01 | Population-based in vitro hazard and concentration-response assessment of chemicals: the 1000 genomes high-throughput screening study | Environmental health perspectives |
| 21906419 | 2012-09-01 | Acute D-serine treatment produces antidepressant-like effects in rodents | The international journal of neuropsychopharmacology |
| 21570896 | 2011-09-01 | Synthesis, spectroscopic studies and electrochemistry of palladium (II) macrocyclic complexes derived from a new tetraazahalogen substituted ligands by template method and their antimicrobial and pesticidal activities | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
| 22065829 | 2011-09-01 | 2,9-Dichloro-6H,13H-5:12,7:14-di-methano-dibenzo[d,i][1,3,6,8]tetra-azecine | Acta crystallographica. Section E, Structure reports online |
| 21754693 | 2011-06-01 | 1,2-Bis(N'-benzoyl-thio-ureido)-4-chloro-benzene | Acta crystallographica. Section E, Structure reports online |
| 21850148 | 2011-01-01 | 4-Chloro-o-phenylenediamine | Report on carcinogens : carcinogen profiles |
| 22091402 | 2011-01-01 | Screening the MayBridge Rule of 3 Fragment Library for Compounds That Interact with the Trypanosoma brucei myo-Inositol-3-Phosphate Synthase and/or Show Trypanocidal Activity | Molecular biology international |
| 21139872 | 2010-11-01 | Photodegradation of selected PCBs in the presence of Nano-TiO2 as catalyst and H2O2 as an oxidant | International journal of environmental research and public health |
| 18414635 | 2008-04-01 | Use of cell viability assay data improves the prediction accuracy of conventional quantitative structure-activity relationship models of animal carcinogenicity | Environmental health perspectives |
| 18058049 | 2008-01-01 | Single strand dna breaks in human lymphocytes exposed to para-phenylenediamine and its derivatives | Bulletin of environmental contamination and toxicology |
