3-Bromobenzaldehyde diethyl acetal - CAS 75148-49-1
Catalog: |
BB035253 |
Product Name: |
3-Bromobenzaldehyde diethyl acetal |
CAS: |
75148-49-1 |
Synonyms: |
1-bromo-3-(diethoxymethyl)benzene |
IUPAC Name: | 1-bromo-3-(diethoxymethyl)benzene |
Description: | 3-Bromobenzaldehyde diethyl acetal (CAS# 75148-49-1) is a useful research chemical. |
Molecular Weight: | 259.14 |
Molecular Formula: | C11H15BrO2 |
Canonical SMILES: | CCOC(C1=CC(=CC=C1)Br)OCC |
InChI: | InChI=1S/C11H15BrO2/c1-3-13-11(14-4-2)9-6-5-7-10(12)8-9/h5-8,11H,3-4H2,1-2H3 |
InChI Key: | KDHRJLQXMOBXRV-UHFFFAOYSA-N |
Boiling Point: | 95 °C (0.5 mmHg) |
Purity: | 95 % |
Density: | 1.271 g/cm3 |
Appearance: | Clear colorless liquid |
MDL: | MFCD01075697 |
LogP: | 3.52070 |
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-110818592-A | Tandem reaction synthesis method of 2- (phenylmethylene) malononitrile or derivatives thereof | 20191126 |
WO-2021050721-A1 | Quinoline derivatives and uses in managing cancer | 20190910 |
WO-2020165409-A1 | Prostate specific membrane antigen (psma) ligands comprising an amylase cleavable linker | 20190214 |
AU-2018332887-A1 | Bisamide sarcomere activating compounds and uses thereof | 20170913 |
CA-3075669-A1 | Bisamide sarcomere activating compounds and uses thereof | 20170913 |
Complexity: | 146 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.02554 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.02554 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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