3-(3-Chlorophenyl)propionic acid - CAS 21640-48-2

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

Catalog:	BB017034
Product Name:	3-(3-Chlorophenyl)propionic acid
CAS:	21640-48-2
Synonyms:	3-(3-chlorophenyl)propanoic acid

Technical Data

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Computed Properties

IUPAC Name:	3-(3-chlorophenyl)propanoic acid
Description:	3-(3-Chlorophenyl)propionic acid (CAS# 21640-48-2) is a useful research chemical.
Molecular Weight:	184.62
Molecular Formula:	C9H9ClO2
Canonical SMILES:	C1=CC(=CC(=C1)Cl)CCC(=O)O
InChI:	InChI=1S/C9H9ClO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5H2,(H,11,12)
InChI Key:	CLTDVBQNUHHYCA-UHFFFAOYSA-N
Boiling Point:	306.6 °C at 760 mmHg
Melting Point:	72-76 °C (lit.)
Purity:	98 %
Density:	1.27 g/cm³
Appearance:	White crystal
MDL:	MFCD00014580
LogP:	2.35720

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Related Functional Groups

Carbonyl Compounds

[87-88-7]C6H2Cl2O4
Chloranilic acid
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]C11H21ClO
Undecanoyl chloride
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

GHS Hazard Statement:	H302 (97.73%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P333+P313, P363, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
WO-2020155595-A1	Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photocatalytic oxidation method therefor	20190201
CN-109293488-A	A kind of preparation method of 5-chloro-1-indanone	20181114
CN-111170923-A	DL-tryptophan compounds, preparation method and application thereof	20181113
US-2020149034-A1	Methods and Compositions for Synthesis of Encoded Libraries	20170317
CN-106588612-A	Acidic ionic liquid catalysis method for synthesis of 5-chloro-1-indanone	20161130

Complexity:	159
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.0291072
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	184.0291072
Rotatable Bond Count:	3
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3