4-Chlorophenylacetic acid - CAS 1878-66-6
Catalog: |
BB014453 |
Product Name: |
4-Chlorophenylacetic acid |
CAS: |
1878-66-6 |
Synonyms: |
2-(4-chlorophenyl)acetic acid |
IUPAC Name: | 2-(4-chlorophenyl)acetic acid |
Description: | 4-Chlorophenylacetic acid (CAS# 1878-66-6) is a chlorinated phenyl acetic acid that is an antitumor differentiation inducer and may be an effective therapeutic agent in neuroblastoma therapy. 4-Chlorophenylacetic Acid shows plant growth-regulating activity. |
Molecular Weight: | 170.59 |
Molecular Formula: | C8H7ClO2 |
Canonical SMILES: | C1=CC(=CC=C1CC(=O)O)Cl |
InChI: | InChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11) |
InChI Key: | CDPKJZJVTHSESZ-UHFFFAOYSA-N |
Boiling Point: | 294.1 °C at 760 mmHg |
Melting Point: | 103-107 °C |
Purity: | 95 % |
Density: | 1.324 g/cm3 |
Appearance: | White to cream colored powder |
Storage: | Store in a cool, dry place. Store in a tightly closed container. |
MDL: | MFCD00004344 |
LogP: | 1.96710 |
GHS Hazard Statement: | H312 (20.2%): Harmful in contact with skin [Warning Acute toxicity, dermal] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22084712 | 20110101 | Bioremediation of pharmaceuticals, pesticides, and petrochemicals with gomeya/cow dung | ISRN pharmacology |
21588698 | 20100821 | 2-(4-Chloro-phen-yl)acetic acid-2-{(E)-[(E)-2-(2-pyridyl-methyl-idene)hydrazin-1-yl-idene]meth-yl}pyridine (1/1) | Acta crystallographica. Section E, Structure reports online |
20102200 | 20100310 | Synthesis of 1-acyl-3-isopropenylbenzimidazolone derivatives and their activity against Botrytis cinerea | Journal of agricultural and food chemistry |
19860399 | 20091218 | Efficient chemoenzymatic dynamic kinetic resolution of 1-heteroaryl ethanols | The Journal of organic chemistry |
19172175 | 20090101 | Carcinogenic effects in a phenylketonuria mouse model | PloS one |
Complexity: | 139 |
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: | 2.1 |
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