2,6-Dichlorophenylacetic Acid - CAS 6575-24-2
Catalog: |
BB032818 |
Product Name: |
2,6-Dichlorophenylacetic Acid |
CAS: |
6575-24-2 |
Synonyms: |
2,6-Dichlorobenzeneacetic Acid; Guanfacine Impurity 1; Benzeneacetic acid, 2,6-dichloro- |
Application: |
2,6-Dichlorophenylacetic acid is an inhibitor of isopenicillin N synthase (IPNS) and acyl-CoA: 6-APA acyltransferase. 2,6-Dichlorophenylacetic acid is also part of a group of phenylacetate derivatives that have cytostatic activity against tumour cells. |
IUPAC Name: | 2-(2,6-dichlorophenyl)acetic acid |
Description: | 2,6-Dichlorophenylacetic Acid is an impurity of Guanfacine, which is an α2A receptor selective agonist used to treat attention deficit hyperactivity disorder (ADHD) and hypertension. |
Molecular Weight: | 205.04 |
Molecular Formula: | C8H6Cl2O2 |
Canonical SMILES: | C1=CC(=C(C(=C1)Cl)CC(=O)O)Cl |
InChI: | InChI=1S/C8H6Cl2O2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12) |
InChI Key: | SFAILOOQFZNOAU-UHFFFAOYSA-N |
Boiling Point: | 325.2±27.0°C at 760 mmHg |
Melting Point: | 158-161°C |
Purity: | ≥95% |
Density: | 1.456 g/cm3 |
Solubility: | Soluble in DMSO (Slightly), Methanol (Slightly) |
Appearance: | White to off-white solid |
Storage: | Store at 2-8°C |
MDL: | MFCD00004320 |
LogP: | 2.62050 |
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 |
WO-2020257043-A1 | Processes and intermediates for the preparation of 2-(2,6-dichlorophenyl)-1-[(1s,3r)-3-(hydroxymethyl)-5-(3-hydroxy-3-methylbutyl)-1-methyl-3,4-dihydroisoquinolin-2(1h)-yl]ethenone | 20190618 |
KR-102172595-B1 | A pharmaceutical composition comprising benzoxazepine derivatives for preventing or treating obesity | 20181219 |
KR-20200076318-A | A pharmaceutical composition comprising benzoxazepine derivatives for preventing or treating obesity | 20181219 |
DE-102018212006-B3 | Thioethers as modulators of Kv7.2 / Kv7.3 channels | 20180718 |
WO-2020016297-A1 | Thioethers as modulators of kv7.2/kv7.3 channels | 20180718 |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.9744848 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.9744848 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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