4-Bromobenzaldehyde dimethyl acetal - CAS 24856-58-4
Catalog: |
BB018642 |
Product Name: |
4-Bromobenzaldehyde dimethyl acetal |
CAS: |
24856-58-4 |
Synonyms: |
1-bromo-4-(dimethoxymethyl)benzene |
IUPAC Name: | 1-bromo-4-(dimethoxymethyl)benzene |
Description: | 4-Bromobenzaldehyde dimethyl acetal (CAS# 24856-58-4) is a useful research chemical. |
Molecular Weight: | 231.09 |
Molecular Formula: | C9H11BrO2 |
Canonical SMILES: | COC(C1=CC=C(C=C1)Br)OC |
InChI: | InChI=1S/C9H11BrO2/c1-11-9(12-2)7-3-5-8(10)6-4-7/h3-6,9H,1-2H3 |
InChI Key: | TWFNGPDYMFEHOB-UHFFFAOYSA-N |
Boiling Point: | 254 °C (lit.) |
Purity: | 95 % |
Density: | 1.383 g/mL at 25 °C (lit.) |
MDL: | MFCD01320499 |
LogP: | 2.74050 |
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 |
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PMID | Publication Date | Title | Journal |
17715979 | 20070914 | Synthesis of valsartan via decarboxylative biaryl coupling | The Journal of organic chemistry |
Complexity: | 118 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.99424 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.99424 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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