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  • 101-10-0 Structure
  • Basic information

    1. Product Name: 2-(3-Chlorophenoxy)-propionic acid
    2. Synonyms: 2-(3-chlorophenoxy)-propanoicaci;2-(m-chlorophenoxy)-propionicaci;2-(m-chlorophenoxy)propionicacid;3cp;3cpa;amchem3-cp;caswellno.206;epapesticidechemicalcode021201
    3. CAS NO:101-10-0
    4. Molecular Formula: C9H9ClO3
    5. Molecular Weight: 200.62
    6. EINECS: 202-915-2
    7. Product Categories: C9;Carbonyl Compounds;Carboxylic Acids;Building Blocks/Intermediates
    8. Mol File: 101-10-0.mol
    9. Article Data: 17
  • Chemical Properties

    1. Melting Point: 113-115 °C(lit.)
    2. Boiling Point: 288.02°C (rough estimate)
    3. Flash Point: 146.4 °C
    4. Appearance: /
    5. Density: 1.2799 (rough estimate)
    6. Vapor Pressure: 0.00015mmHg at 25°C
    7. Refractive Index: 1.5230 (estimate)
    8. Storage Temp.: 0-6°C
    9. Solubility: N/A
    10. PKA: 3.13±0.10(Predicted)
    11. BRN: 1876444
    12. CAS DataBase Reference: 2-(3-Chlorophenoxy)-propionic acid(CAS DataBase Reference)
    13. NIST Chemistry Reference: 2-(3-Chlorophenoxy)-propionic acid(101-10-0)
    14. EPA Substance Registry System: 2-(3-Chlorophenoxy)-propionic acid(101-10-0)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38
    3. Safety Statements: 26-36
    4. WGK Germany: 2
    5. RTECS: UE9285000
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 101-10-0(Hazardous Substances Data)

101-10-0 Usage

Description

2-(3-Chlorophenoxy)-propionic acid is a chiral phenoxy acid herbicide, characterized by its white to off-white crystalline powder appearance. It has been studied for enantiomeric resolution through electrokinetic chromatography using a cyclodextrin as a chiral pseudophase.

Uses

Used in Agricultural Industry:
2-(3-Chlorophenoxy)-propionic acid is used as a herbicide for controlling the growth of unwanted plants in various agricultural settings. Its chiral nature allows for selective targeting of specific plant species, reducing the need for broad-spectrum herbicides and minimizing potential harm to non-target plants.
Used in Chemical Research:
As a chiral phenoxy acid, 2-(3-Chlorophenoxy)-propionic acid is utilized in chemical research for studying the effects of stereochemistry on herbicidal activity and the development of more effective and environmentally friendly herbicides. Its enantiomeric resolution through CD-EKC provides valuable insights into the behavior of chiral molecules in various chemical processes.

Check Digit Verification of cas no

The CAS Registry Mumber 101-10-0 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 1,0 and 1 respectively; the second part has 2 digits, 1 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 101-10:
(5*1)+(4*0)+(3*1)+(2*1)+(1*0)=10
10 % 10 = 0
So 101-10-0 is a valid CAS Registry Number.
InChI:InChI=1/C9H9ClO3/c1-6(9(11)12)13-8-4-2-3-7(10)5-8/h2-6H,1H3,(H,11,12)/p-1/t6-/m1/s1

101-10-0 Well-known Company Product Price

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  • Alfa Aesar

  • (L08311)  2-(3-Chlorophenoxy)propionic acid, 98+%   

  • 101-10-0

  • 50g

  • 509.0CNY

  • Detail

101-10-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name Cloprop

1.2 Other means of identification

Product number -
Other names 2-(3-Chlorophenoxy)propionic Acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:101-10-0 SDS

101-10-0Relevant articles and documents

Kinetics and mechanism of thermal gas-phase elimination of α-substituted carboxylic acids: Role of relative basicity of α-substituents and acidity of incipient proton

Al-Awadi, Nouria A.,Kaul, Kamini,El-Dusouqui, Osman M. E.

, p. 499 - 504 (2000)

2-Phenoxypropanoic acid together with five of its aryl derivatives, its phenylthio and its N-phenylamino analogues were pyrolyzed at 494-566 K. The reactions were homogeneous, polar and free from catalytic and radical pathways, and obeyed a first-order rate equation. The limits of the Arrhenius log A (s-1) and E (kJ mol-1) values obtained for these reactions averaged 11.98 ± 1.71 and 158.1 ± 17.4, respectively. Analysis of the pyrolysates showed the elimination products to be carbon monoxide, acetaldehyde and the corresponding phenol, thiophenol or aniline compounds. The pyrolysis of 2-phenoxy- and 2-(N-phenylamino)-1-propanol was also investigated over the temperature range 638-792 K. The kinetic results and products analysis lend support to a reaction pathway involving a five-membered cyclic polar transition state. Copyright

Optimization of benzoxazole-based inhibitors of Cryptosporidium parvum inosine 5′-monophosphate dehydrogenase

Gorla, Suresh Kumar,Kavitha, Mandapati,Zhang, Minjia,Chin, James En Wai,Liu, Xiaoping,Striepen, Boris,Makowska-Grzyska, Magdalena,Kim, Youngchang,Joachimiak, Andrzej,Hedstrom, Lizbeth,Cuny, Gregory D.

, p. 4028 - 4043 (2013/06/27)

Cryptosporidium parvum is an enteric protozoan parasite that has emerged as a major cause of diarrhea, malnutrition, and gastroenteritis and poses a potential bioterrorism threat. C. parvum synthesizes guanine nucleotides from host adenosine in a streamlined pathway that relies on inosine 5′-monophosphate dehydrogenase (IMPDH). We have previously identified several parasite-selective C. parvum IMPDH (CpIMPDH) inhibitors by high-throughput screening. In this paper, we report the structure-activity relationship (SAR) for a series of benzoxazole derivatives with many compounds demonstrating CpIMPDH IC50 values in the nanomolar range and >500-fold selectivity over human IMPDH (hIMPDH). Unlike previously reported CpIMPDH inhibitors, these compounds are competitive inhibitors versus NAD +. The SAR study reveals that pyridine and other small heteroaromatic substituents are required at the 2-position of the benzoxazole for potent inhibitory activity. In addition, several other SAR conclusions are highlighted with regard to the benzoxazole and the amide portion of the inhibitor, including preferred stereochemistry. An X-ray crystal structure of a representative E·IMP·inhibitor complex is also presented. Overall, the secondary amine derivative 15a demonstrated excellent CpIMPDH inhibitory activity (IC 50 = 0.5 ± 0.1 nM) and moderate stability (t1/2 = 44 min) in mouse liver microsomes. Compound 73, the racemic version of 15a, also displayed superb antiparasitic activity in a Toxoplasma gondii strain that relies on CpIMPDH (EC50 = 20 ± 20 nM), and selectivity versus a wild-type T. gondii strain (200-fold). No toxicity was observed (LD 50 > 50 μM) against a panel of four mammalian cells lines.

(R,S)-2-chlorophenoxyl pyrazolides as novel substrates for improving lipase-catalyzed hydrolytic resolution

Kao, Min-Fang,Lu, Pei-Yu,Kao, Jou-Yan,Wang, Pei-Yun,Wu, An-Chi,Tsai, Shau-Wei

, p. 60 - 66 (2012/05/04)

The best reaction condition of Candida antartica lipase B as biocatalyst, 3-(2-pyridyl)pyrazole as leaving azole, and water-saturated methyl t-butyl ether as reaction medium at 45°C were first selected for performing the hydrolytic resolution of (R,S)-2-(4-chlorophenoxyl) azolides (1-4). In comparison with the kinetic resolution of (R,S)-2-phenylpropionyl 3-(2-pyridyl)pyrazolide or (R,S)-α-methoxyphenylacetyl 3-(2-pyridyl)pyrazolide at the same reaction condition, excellent enantioselectivity with more than two order-of-magnitudes higher activity for each enantiomer was obtained. The resolution was then extended to other (R,S)-3-(2-pyridyl)pyrazolides (5-7) containing 2-chloro, 3-chloro, or 2,4-dichloro substituent, giving good (E > 48) to excellent (E > 100) enantioselectivity. The thermodynamic analysis for 1, 2, and 4-7 demonstrates profound effects of the acyl or leaving moiety on varying enthalpic and entropic contributions to the difference of Gibbs free energies. A thorough kinetic analysis further indicates that on the basis of 6, the excellent enantiomeric ratio for 4 and 7 is due to the higher reactivity of (S)-4 and lower reactivity of (R)-7, respectively.

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