1-Chloro-3,5-dibromobenzene - CAS 14862-52-3
Catalog: |
BB010325 |
Product Name: |
1-Chloro-3,5-dibromobenzene |
CAS: |
14862-52-3 |
Synonyms: |
1,3-dibromo-5-chlorobenzene |
IUPAC Name: | 1,3-dibromo-5-chlorobenzene |
Description: | 1-Chloro-3,5-dibromobenzene (CAS# 14862-52-3) is a reactant in the preparation of orally bioavailable 1-(1H-indol-4-yl)-3,5-disubstituted benzene analogs as antimitotic agents. |
Molecular Weight: | 270.35 |
Molecular Formula: | C6H3Br2Cl |
Canonical SMILES: | C1=C(C=C(C=C1Br)Br)Cl |
InChI: | InChI=1S/C6H3Br2Cl/c7-4-1-5(8)3-6(9)2-4/h1-3H |
InChI Key: | FNKCOUREFBNNHG-UHFFFAOYSA-N |
Boiling Point: | 249.8 °C at 760 mmHg |
Density: | 2.021 g/cm3 |
MDL: | MFCD00070765 |
LogP: | 3.86500 |
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-113512048-A | Organic compound and organic light-emitting device using same | 20210710 |
CN-113307764-A | Compound, electron transport material, organic electroluminescent device and display device | 20210508 |
CN-113321641-A | Compound, electron transport material, organic electroluminescent device and display device | 20210508 |
CN-113248426-A | Heterocyclic triarylamine compound and organic photoelectric device containing same | 20210407 |
CN-213543206-U | Box-type resistance furnace for producing 3, 5-dibromochlorobenzene | 20200929 |
PMID | Publication Date | Title | Journal |
21835687 | 20111101 | Quantum chemical studies on structure of 1-3-dibromo-5-chlorobenzene | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
Complexity: | 87.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 269.82695 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.82900 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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