4-Chloro-o-phenylenediamine - CAS 95-83-0
Catalog: |
BB041852 |
Product Name: |
4-Chloro-o-phenylenediamine |
CAS: |
95-83-0 |
Synonyms: |
4-chlorobenzene-1,2-diamine; 4-chlorobenzene-1,2-diamine |
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. |
IUPAC Name: | 4-chlorobenzene-1,2-diamine |
Description: | Undergoes cyclizations and cyclocondensations to form benzimidazoles. |
Molecular Weight: | 142.59 |
Molecular Formula: | C6H7ClN2 |
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 |
MDL: | MFCD00011691 |
LogP: | 2.66680 |
Vapor Pressure: | 0.00206 [mmHg] |
GHS Hazard Statement: | H302 (10.42%): Harmful if swallowed [Warning Acute toxicity, oral] |
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 |
Publication Number | Title | Priority Date |
CN-113480487-A | Benzotriazole-containing fluorescent compound, and preparation method and application thereof | 20210616 |
CN-113322677-A | Reinforced heat-resistant optical cable filler and preparation method thereof | 20210531 |
CN-113121460-A | Polycyclic fused 1, 5-benzodiazepine compound and preparation method thereof | 20210518 |
CN-113121459-A | A method for preparing benzodiazepine compound using gold complex | 20210305 |
JP-2021080483-A | Complex | 20210304 |
PMID | Publication Date | Title | Journal |
25622337 | 20150501 | Population-based in vitro hazard and concentration-response assessment of chemicals: the 1000 genomes high-throughput screening study | Environmental health perspectives |
21906419 | 20120901 | Acute D-serine treatment produces antidepressant-like effects in rodents | The international journal of neuropsychopharmacology |
21570896 | 20110901 | 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 | 20110901 | 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 | 20110601 | 1,2-Bis(N'-benzoyl-thio-ureido)-4-chloro-benzene | Acta crystallographica. Section E, Structure reports online |
Complexity: | 97.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.0297759 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.0297759 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 52 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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