Methyl 2,6-Dibromobenzoate - CAS 873994-34-4
Catalog: |
BB038422 |
Product Name: |
Methyl 2,6-Dibromobenzoate |
CAS: |
873994-34-4 |
Synonyms: |
2,6-dibromobenzoic acid methyl ester; methyl 2,6-dibromobenzoate |
IUPAC Name: | methyl 2,6-dibromobenzoate |
Description: | Methyl 2,6-Dibromobenzoate (CAS# 873994-34-4) is a useful research chemical. |
Molecular Weight: | 293.94 |
Molecular Formula: | C8H6Br2O2 |
Canonical SMILES: | COC(=O)C1=C(C=CC=C1Br)Br |
InChI: | InChI=1S/C8H6Br2O2/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,1H3 |
InChI Key: | XBRJXFYZADAIRU-UHFFFAOYSA-N |
Boiling Point: | 287.7 °C at 760 mmHg |
Density: | 1.84 g/cm3 |
LogP: | 2.99820 |
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 |
KR-20160040826-A | Novel compound for organic electroluminescent device and organic electroluminescent device comprising the same | 20141006 |
KR-20150133097-A | An electroluminescent compound and an electroluminescent device comprising the same | 20140519 |
IL-223392-A | Modulators of 5-ht receptors and their uses | 20101119 |
AU-2010353724-A1 | Modulators of 5-HT receptors and methods of use thereof | 20100521 |
AU-2010353724-B2 | Modulators of 5-HT receptors and methods of use thereof | 20100521 |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 293.87141 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 291.87345 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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