5-Bromo-2-hydroxybenzyl alcohol - CAS 2316-64-5
Catalog: |
BB017967 |
Product Name: |
5-Bromo-2-hydroxybenzyl alcohol |
CAS: |
2316-64-5 |
Synonyms: |
4-bromo-2-(hydroxymethyl)phenol |
IUPAC Name: | 4-bromo-2-(hydroxymethyl)phenol |
Description: | 5-Bromo-2-hydroxybenzyl alcohol (CAS# 2316-64-5) is a useful research chemical. |
Molecular Weight: | 203.03 |
Molecular Formula: | C7H7BrO2 |
Canonical SMILES: | C1=CC(=C(C=C1Br)CO)O |
InChI: | InChI=1S/C7H7BrO2/c8-6-1-2-7(10)5(3-6)4-9/h1-3,9-10H,4H2 |
InChI Key: | KNKRHSVKIORZQB-UHFFFAOYSA-N |
Boiling Point: | 281.8 °C at 760 mmHg |
Density: | 1.722 g/cm3 |
Appearance: | White to light brown crystalline powder or flakes |
MDL: | MFCD00004618 |
LogP: | 1.64700 |
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-2021097423-A1 | Fibroblast-based therapy for treatment and prevention of stroke | 20191117 |
WO-2021087440-A1 | Fibroblast-based therapy for treatment of sclerosing cholangitis | 20191101 |
WO-2021075930-A1 | Neonatal fc receptor binding affimers | 20191016 |
WO-2021042001-A1 | Compositions and methods related to dissolved oxides | 20190830 |
US-2020376041-A1 | Concurrent activation of regenerative and tolerogenic processes by fibroblast-based compositions for the treatment of multiple sclerosis | 20190531 |
PMID | Publication Date | Title | Journal |
12944661 | 20030901 | 4-bromo-2-(hydroxymethyl)phenol: helical hydrogen bonding, R(2)(2)(12) rings and C--H...pi interactions | Acta crystallographica. Section C, Crystal structure communications |
Complexity: | 108 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.96294 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.96294 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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