4-Chloro-2-methoxyaniline - CAS 93-50-5
Catalog: |
BB040947 |
Product Name: |
4-Chloro-2-methoxyaniline |
CAS: |
93-50-5 |
Synonyms: |
4-chloro-2-methoxyaniline; 4-chloro-2-methoxyaniline |
IUPAC Name: | 4-chloro-2-methoxyaniline |
Description: | Important intermediate used for the synthesis of CXCR2 antagonists and some CD4-gp120 binding inhibitors. |
Molecular Weight: | 157.60 |
Molecular Formula: | C7H8ClNO |
Canonical SMILES: | COC1=C(C=CC(=C1)Cl)N |
InChI: | InChI=1S/C7H8ClNO/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,9H2,1H3 |
InChI Key: | WOXLPNAOCCIZGP-UHFFFAOYSA-N |
Boiling Point: | 608.1 °C at 760 mmHg |
Density: | 1.244 g/cm3 |
Storage: | Keep in dark place, Inert atmosphere, 2-8 °C |
MDL: | MFCD06801386 |
LogP: | 2.51200 |
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 |
JP-2021134343-A | A reactive mixture containing a plurality of reactive components and a polymer having an aryl ether ketone structure obtained from this mixture. | 20200227 |
WO-2021067313-A1 | Eukaryotic semi-synthetic organisms | 20190930 |
WO-2021061929-A1 | Bicyclic carboxylates as modulators of transporters and uses thereof | 20190925 |
WO-2021061643-A1 | METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION | 20190923 |
WO-2021034729-A1 | N-aryl sulfonamide derivatives as vaccine adjuvant | 20190816 |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.0294416 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.0294416 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 35.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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