3,5-Dibromo-2-hydroxy-4-methoxybenzaldehyde - CAS 117238-61-6
Catalog: |
BB003908 |
Product Name: |
3,5-Dibromo-2-hydroxy-4-methoxybenzaldehyde |
CAS: |
117238-61-6 |
Synonyms: |
3,5-dibromo-2-hydroxy-4-methoxybenzaldehyde |
IUPAC Name: | 3,5-dibromo-2-hydroxy-4-methoxybenzaldehyde |
Description: | 3,5-Dibromo-2-hydroxy-4-methoxybenzaldehyde (CAS# 117238-61-6 ) is a useful research chemical. |
Molecular Weight: | 309.94 |
Molecular Formula: | C8H6Br2O3 |
Canonical SMILES: | COC1=C(C=C(C(=C1Br)O)C=O)Br |
InChI: | InChI=1S/C8H6Br2O3/c1-13-8-5(9)2-4(3-11)7(12)6(8)10/h2-3,12H,1H3 |
InChI Key: | SWPANPHWQRNQGO-UHFFFAOYSA-N |
Boiling Point: | 317.5 °C at 760 mmHg |
Melting Point: | 97-101 °C(lit.) |
Purity: | 95 % |
Density: | 1.988 g/cm3 |
Appearance: | White to yellow powder or crystals |
MDL: | MFCD00457769 |
LogP: | 2.73830 |
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-108069929-B | 3-substituted coumarin derivative and application thereof, and GPR35 receptor agonist | 20161118 |
CA-2442265-A1 | Benzofuran derivatives | 20010329 |
DE-10115408-A1 | Benzofuran derivatives | 20010329 |
EP-1373239-A1 | Benzofuran derivatives | 20010329 |
US-2004220415-A1 | Benzofuran derivatives | 20010329 |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 309.86632 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 307.86837 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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