2-Chlorophenylacetic acid - CAS 2444-36-2
Catalog: |
BB018485 |
Product Name: |
2-Chlorophenylacetic acid |
CAS: |
2444-36-2 |
Synonyms: |
2-(2-chlorophenyl)acetic acid |
IUPAC Name: | 2-(2-chlorophenyl)acetic acid |
Description: | 2-Chlorophenylacetic acid (CAS# 2444-36-2) is used in the synthesis of anti-proliferatives and anticancer agents. Also used in the synthesis of 4-phenoxybenzamide analogues as opiod receptor antagonists. |
Molecular Weight: | 170.59 |
Molecular Formula: | C8H7ClO2 |
Canonical SMILES: | C1=CC=C(C(=C1)CC(=O)O)Cl |
InChI: | InChI=1S/C8H7ClO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11) |
InChI Key: | IUJAAIZKRJJZGQ-UHFFFAOYSA-N |
Boiling Point: | 294.1 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.324 g/cm3 |
Appearance: | White to light yellow powder |
MDL: | MFCD00004317 |
LogP: | 1.96710 |
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-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
WO-2021104486-A1 | Compound containing benzene ring and application thereof | 20191129 |
WO-2020190791-A1 | Inhibiting cyclic amp-responsive element-binding protein (creb) | 20190315 |
US-2020207719-A1 | Compounds for use as therapeutically active substances in the treatment of retinal diseases | 20181228 |
US-10752593-B2 | Compounds for use as therapeutically active substances in the treatment of retinal diseases | 20181228 |
PMID | Publication Date | Title | Journal |
22719691 | 20120601 | 2-(2-Chloro-phen-yl)acetic acid | Acta crystallographica. Section E, Structure reports online |
21577773 | 20090930 | catena-Poly[[trimethyl-tin(IV)]-μ-2-(2-chloro-phenyl)-acetato] | Acta crystallographica. Section E, Structure reports online |
21201931 | 20080215 | 2,3-Bis(2-chloro-benz-yl)naphthalene-1,4-dione | Acta crystallographica. Section E, Structure reports online |
Complexity: | 147 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.0134572 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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