4-Bromobenzyl alcohol - CAS 873-75-6
Catalog: |
BB038412 |
Product Name: |
4-Bromobenzyl alcohol |
CAS: |
873-75-6 |
Synonyms: |
(4-bromophenyl)methanol |
IUPAC Name: | (4-bromophenyl)methanol |
Description: | 4-Bromobenzyl alcohol (CAS# 873-75-6) is a useful research chemical. |
Molecular Weight: | 187.03 |
Molecular Formula: | C7H7BrO |
Canonical SMILES: | C1=CC(=CC=C1CO)Br |
InChI: | InChI=1S/C7H7BrO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2 |
InChI Key: | VEDDBHYQWFOITD-UHFFFAOYSA-N |
Boiling Point: | 267.8 °C at 760 mmHg |
Melting Point: | 75-77 °C |
Purity: | 98 % |
Density: | 1.565 g/cm3 |
Appearance: | White to slightly beige crystals or cryst. powder |
MDL: | MFCD00004650 |
LogP: | 1.94140 |
GHS Hazard Statement: | H315 (42.86%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P273, 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-113461510-A | Aromatic acid compound and preparation method thereof | 20210804 |
CN-113480394-A | Green synthesis method of alkylene fluorene | 20210705 |
CN-113354675-A | Preparation method of 4-hydroxymethyl phenylboronic acid | 20210701 |
CN-113337219-A | Antibacterial and antiviral aldehyde-removing coating and preparation method thereof | 20210628 |
CN-113087673-A | Preparation method of alkyl/alkenyl substituted nitrogen-containing heterocyclic compound | 20210407 |
PMID | Publication Date | Title | Journal |
17283007 | 20070201 | A Thermoanaerobacter ethanolicus secondary alcohol dehydrogenase mutant derivative highly active and stereoselective on phenylacetone and benzylacetone | Protein engineering, design & selection : PEDS |
15974592 | 20050630 | Design and synthesis of potent inhibitors of plasmepsin I and II: X-ray crystal structure of inhibitor in complex with plasmepsin II | Journal of medicinal chemistry |
15267244 | 20040729 | Probing the activity differences of simple and complex brominated aryl compounds against 15-soybean, 15-human, and 12-human lipoxygenase | Journal of medicinal chemistry |
Complexity: | 77 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.96803 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.96803 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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