2-Bromoresorcinol - CAS 6751-75-3
Catalog: |
BB033312 |
Product Name: |
2-Bromoresorcinol |
CAS: |
6751-75-3 |
Synonyms: |
1,3-Benzenediol, 2-bromo-; 2-Bromo-1,3-benzenediol; Resorcinol, 2-bromo-; 2,6-Dihydroxybromobenzene; 2-Bromo-1,3-dihydroxybenzene |
IUPAC Name: | 2-bromobenzene-1,3-diol |
Molecular Weight: | 189.01 |
Molecular Formula: | C6H5BrO2 |
Canonical SMILES: | C1=CC(=C(C(=C1)O)Br)O |
InChI: | InChI=1S/C6H5BrO2/c7-6-4(8)2-1-3-5(6)9/h1-3,8-9H |
InChI Key: | UOLPZAPIFFZLMF-UHFFFAOYSA-N |
Boiling Point: | 235.3±20.0°C at 760 mmHg |
Melting Point: | 102.5°C |
Purity: | ≥95% |
Density: | 1.844±0.06 g/cm3 |
Solubility: | Soluble in Methanol |
Appearance: | White to Yellow to Orange Powder to Crystalline |
Storage: | Store at 2-8°C |
LogP: | 1.86030 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111455080-A | Method for rapidly detecting pathogenic vibrios of invertebrate | 20200605 |
WO-2021156584-A1 | Kv3 modulators | 20200206 |
CN-109994732-A | The application of phenols lithium salt compound, lithium ion secondary battery and preparation method thereof | 20190415 |
WO-2020127924-A1 | Process and intermediates for the preparation of voxelotor | 20181221 |
WO-2020127945-A1 | Process and intermediates for the synthesis of voxelotor | 20181221 |
PMID | Publication Date | Title | Journal |
15131390 | 20040501 | 1-Bromo-2,6-dihydroxybenzene containing R(4)(4)(8) rings and C(2) helices | Acta crystallographica. Section C, Crystal structure communications |
Complexity: | 87.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.94729 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.94729 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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