5-Bromo-2-methylbenzaldehyde - CAS 90050-59-2
Catalog: |
BB039747 |
Product Name: |
5-Bromo-2-methylbenzaldehyde |
CAS: |
90050-59-2 |
Synonyms: |
5-bromo-2-methylbenzaldehyde; 5-bromo-2-methylbenzaldehyde |
IUPAC Name: | 5-bromo-2-methylbenzaldehyde |
Description: | 5-Bromo-2-methylbenzaldehyde (CAS# 90050-59-2) is a useful research chemical. |
Molecular Weight: | 199.04 |
Molecular Formula: | C8H7BrO |
Canonical SMILES: | CC1=C(C=C(C=C1)Br)C=O |
InChI: | InChI=1S/C8H7BrO/c1-6-2-3-8(9)4-7(6)5-10/h2-5H,1H3 |
InChI Key: | YILPAIKZHXATHY-UHFFFAOYSA-N |
Boiling Point: | 258.388 °C at 760 mmHg |
Density: | 1.49 g/cm3 |
MDL: | MFCD05662390 |
LogP: | 2.57000 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112028917-A | Preparation method of 3-aldehyde-4-methyl phenylboronic acid | 20201010 |
WO-2021083438-A1 | Inhibitors of purine nucleoside phosphorylase - synthesis and use thereof for treatment of t-cell acute lymphoblastic leukemia and lymphoma | 20191030 |
WO-2020262648-A1 | Acrylic ester derivative, and application and production intermediate thereof | 20190628 |
WO-2020060299-A1 | Compound containing oxadiazole, and pharmaceutical composition containing same | 20180921 |
TW-202023547-A | Compound having oxadiazole and pharmaceutical composition containing the same | 20180921 |
Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.96803 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.96803 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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