1,3-Dibromobenzene - CAS 108-36-1
Catalog: |
BB002259 |
Product Name: |
1,3-Dibromobenzene |
CAS: |
108-36-1 |
Synonyms: |
1,3-dibromobenzene |
IUPAC Name: | 1,3-dibromobenzene |
Description: | 1,3-Dibromobenzene (CAS# 108-36-1) is a metabolite of brominated diphenol ethers by human liver microsomes. |
Molecular Weight: | 235.90 |
Molecular Formula: | C6H4Br2 |
Canonical SMILES: | C1=CC(=CC(=C1)Br)Br |
InChI: | InChI=1S/C6H4Br2/c7-5-2-1-3-6(8)4-5/h1-4H |
InChI Key: | JSRLURSZEMLAFO-UHFFFAOYSA-N |
Boiling Point: | 218-219 °C |
Purity: | 95+ % |
Density: | 1.952 g/cm3 |
Appearance: | Clear colourless to light yellow liquid |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00000078 |
LogP: | 3.21160 |
Vapor Pressure: | 0.26 [mmHg] |
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 |
WO-2021124219-A1 | Separating aromatic isomers using aqueous solutions of cucurbituril macrocycles | 20191217 |
US-2021184123-A1 | Organic electroluminescence device and fused polycyclic compound for organic electroluminescence device | 20191213 |
US-2021175443-A1 | Organic electroluminescent materials and devices | 20191209 |
WO-2021105960-A1 | Substituted tricyclic compounds | 20191129 |
US-2021167301-A1 | Organometallic compound, organic light-emitting device including the same and apparatus including the organometallic compound | 20191128 |
PMID | Publication Date | Title | Journal |
21900862 | 20110906 | Synthesis, spectroscopic properties and antipathogenic activity of new thiourea derivatives | Molecules (Basel, Switzerland) |
22073002 | 20110101 | Antiparasitic bromotyrosine derivatives from the marine sponge Verongula rigida | Marine drugs |
19835403 | 20091101 | Human liver microsome-mediated metabolism of brominated diphenyl ethers 47, 99, and 153 and identification of their major metabolites | Chemical research in toxicology |
18624286 | 20080825 | Photodissociation of dibromobenzenes at 266 nm by the velocity imaging technique | Chemphyschem : a European journal of chemical physics and physical chemistry |
17935095 | 20071203 | Integrated micro flow synthesis based on sequential Br-Li exchange reactions of p-, m-, and o-dibromobenzenes | Chemistry, an Asian journal |
Complexity: | 64.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.86593 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.86798 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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