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
Canonical 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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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