4-Chloro-3-methoxybenzaldehyde - CAS 13726-16-4
Catalog: |
BB008533 |
Product Name: |
4-Chloro-3-methoxybenzaldehyde |
CAS: |
13726-16-4 |
Synonyms: |
4-chloro-3-methoxybenzaldehyde; 4-chloro-3-methoxybenzaldehyde |
IUPAC Name: | 4-chloro-3-methoxybenzaldehyde |
Description: | 4-Chloro-3-methoxybenzaldehyde (CAS# 13726-16-4) is a useful research chemical. |
Molecular Weight: | 170.59 |
Molecular Formula: | C8H7ClO2 |
Canonical SMILES: | COC1=C(C=CC(=C1)C=O)Cl |
InChI: | InChI=1S/C8H7ClO2/c1-11-8-4-6(5-10)2-3-7(8)9/h2-5H,1H3 |
InChI Key: | BZCOHGUBYSDFET-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD07787490 |
LogP: | 2.16110 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112168824-A | Application of aporphine compound | 20190703 |
WO-2020216378-A1 | Heterocyclic compound, application thereof, and composition containing same | 20190426 |
CN-111848598-A | Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound | 20190426 |
EP-3632908-A1 | Inhibitors of the yap/taz-tead interaction and their use in the treatment of cancer | 20181002 |
WO-2020070181-A1 | Inhibitors of the yap/taz-tead interaction and their use in the treatment of cancer | 20181002 |
PMID | Publication Date | Title | Journal |
19447466 | 20090801 | Synthesis of 2-(4-chlorophenyl)-2-(4-chloro-3-thiophenol)-1,1-dichloroethene (3-SH-DDE) via Newman-Kwart rearrangement - a precursor for synthesis of radiolabeled and unlabeled alkylsulfonyl-DDEs | Chemosphere |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.0134572 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.0134572 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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