3-Chlorophenylacetic acid - CAS 1878-65-5

Name: 3-Chlorophenylacetic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB014452
Product Name:	3-Chlorophenylacetic acid
CAS:	1878-65-5
Synonyms:	2-(3-chlorophenyl)acetic acid

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Computed Properties

IUPAC Name:	2-(3-chlorophenyl)acetic acid
Description:	3-Chlorophenylacetic acid (CAS# 1878-65-5) is a useful research chemical.
Molecular Weight:	170.59
Molecular Formula:	C8H7ClO2
Canonical SMILES:	C1=CC(=CC(=C1)Cl)CC(=O)O
InChI:	InChI=1S/C8H7ClO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChI Key:	WFPMUFXQDKMVCO-UHFFFAOYSA-N
Boiling Point:	294.1 °C at 760 mmHg
Melting Point:	77-80 °C
Purity:	98 %
Density:	1.324 g/cm³
Appearance:	White shiny flakes and chunks
Storage:	Store in a cool, dry place. Store in a tightly closed container.
MDL:	MFCD00004332
LogP:	1.96710

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Related Functional Groups

Carbonyl Compounds

[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[59855-96-8]C6H7NO3S
2-(Methoxymethyl)thiazole-5-carboxylic Acid

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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
CN-113200934-A	Compound containing benzomorpholone-biphenyl skeleton and preparation method and application thereof	20210518
JP-2020164528-A	Compounds for promoting myocardial regeneration, methods for preparing them, pharmaceutical compositions and their use	20200428
CN-111499644-A	Imidazo [1,5-a ] quinazoline-5 (4H) -ketone derivative and preparation method and application thereof	20200424
CN-111499644-B	Imidazo [1,5-a ] quinazoline-5 (4H) -ketone derivative and preparation method and application thereof	20200424
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

PMID	Publication Date	Title	Journal
19962903	20100101	Carbonic anhydrase inhibitors. Identification of selective inhibitors of the human mitochondrial isozymes VA and VB over the cytosolic isozymes I and II from a natural product-based phenolic library	Bioorganic & medicinal chemistry
21201213	20080927	3-(3-Chloro-benz-yl)-1H-isochromen-1-one	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:	2.1