4-Fluororesorcinol - CAS 103068-41-3
Catalog: |
BB001012 |
Product Name: |
4-Fluororesorcinol |
CAS: |
103068-41-3 |
Synonyms: |
4-fluorobenzene-1,3-diol |
IUPAC Name: | 4-fluorobenzene-1,3-diol |
Description: | 4-Fluororesorcinol (CAS# 103068-41-3) is a reagent used in the preparation of fluorescent dyes and indicators. |
Molecular Weight: | 128.10 |
Molecular Formula: | C6H5FO2 |
Canonical SMILES: | C1=CC(=C(C=C1O)O)F |
InChI: | InChI=1S/C6H5FO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H |
InChI Key: | XPOIJNIQXJYQOV-UHFFFAOYSA-N |
Boiling Point: | 240.8 ℃ at 760 mmHg |
Purity: | > 98.0 % (GC) |
Density: | 1.415 g/cm3 |
MDL: | MFCD03789074 |
LogP: | 1.23690 |
GHS Hazard Statement: | H302 (99.03%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021198283-A1 | Inhibitors of antigen presentation by hla-dr | 20200331 |
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Complexity: | 97.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 128.02735756 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 128.02735756 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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