3-Chloro-4-hydroxyphenylacetic Acid - >97.0%, high purity , CAS No.33697-81-3

Name: 3-Chloro-4-hydroxyphenylacetic Acid - >97.0%, high purity , CAS No.33697-81-3
Price: 9.9 USD
Availability: InStock

Grade & Purity:

In stock

Item Number

C153821

Grouped product items
SKU	Size	Availability	Price
C153821-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
C153821-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$22.90
C153821-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$88.90
C153821-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$299.90

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Synonyms	2-(3-chloro-4-hydroxyphenyl)acetic acid \| 2-(3-chloro-4-hydroxy-phenyl)acetic acid \| BRN 2096929 \| VUFB9649 \| 2h6b \| Tox21_201971 \| 2-(3-CHLORO-4-HYDROXYPHENYL)ACETICACID \| 3-Chloro-4-hydroxyphenylacetic acid \| 3-chloro-4-hydroxy-phenylacetic acid \| 3-chl
Specifications & Purity	≥97%
Shipped In	Normal
Product Description	3-Chloro-4-hydroxyphenylacetic acid is an auxin influx inhibitor. It is one of the major chlorinated metabolite of chlorotyrosine.

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	Halophenols
Intermediate Tree Nodes	Chlorophenols
Direct Parent	O-chlorophenols
Alternative Parents	Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	2-chlorophenol - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as o-chlorophenols. These are chlorophenols carrying a iodine at the C2 position of the benzene ring.
External Descriptors	phenols - monochlorobenzenes - hydroxy monocarboxylic acid
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

IUPAC Name	2-(3-chloro-4-hydroxyphenyl)acetic acid
INCHI	InChI=1S/C8H7ClO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12)
InChIKey	IYTUKSIOQKTZEG-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1CC(=O)O)Cl)O
Isomeric SMILES	C1=CC(=C(C=C1CC(=O)O)Cl)O
WGK Germany	2
RTECS	CY1576300
Molecular Weight	186.59
Beilstein	10(3)440
Reaxy-Rn	2096929
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2096929&ln=

Solubility	Solubility in hot Water:very faint turbidity,
Melt Point(°C)	108-110 °C
Molecular Weight	186.590 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	186.008 Da
Monoisotopic Mass	186.008 Da
Topological Polar Surface Area	57.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	172.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Basic Description