3-(4-Chlorophenoxy)-1,2-propanediol - ≥99% , CAS No.104-29-0

Name: 3-(4-Chlorophenoxy)-1,2-propanediol - ≥99% , CAS No.104-29-0
Brand: Aladdin Scientific
SKU: C131938
Availability: InStock

CAS: 104-29-0 Cat. No.: C131938 Summenformel: C₉H₁₁ClO₃ Molekulargewicht: 202.63 EG-Nummer: 203-192-6

3 Citations COA

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QUALITÄT & REINHEIT ≥99%

Synonyms

Storage

Room temperature,Argon charged

Shipped In

Normal

Übersicht Spezifikationen Namen und Kennungen Dokumentation Erweiterte Daten Taxonomic Classification 3D-Struktur Zugehörige Ziele (menschlich) Zugehörige Ziele (nicht menschlich) Wirkungsmechanismen Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm) Chemische und physikalische Eigenschaften FAQs und Artikel Citations of This Product Lösungsrechner Bewertungen Häufig gestellte Fragen

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Warum diese Qualität

≥99% für empfindliche chromatographische und analytische Workflows, die minimale Basislinieninterferenzen erfordern.

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Lagerung & Versand

Room temperature,Argon charged Versand Normal. Genaue Spezifikationen finden Sie im chargenspezifischen COA.

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Qualitätsdokumente

SDS, COA, Datenblatt und Spezifikationsblatt stehen zum Download bereit. Chargenspezifische COA über Chargennummernsuche abrufbar.

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Literaturbeleg

In 3 peer-reviewten Publikationen zu Chromatographie, organischer Synthese und Kreuzkupplungsreaktionen zitiert.

Übersicht

3-(4-Chlorophenoxy)-1,2-propanediol is an antigen-associated immunosuppressant that inhibits IgE-mediated histamine release. 3-(4-Chlorophenoxy)-1,2-propanediol is also used as an antimycotic agent.
An antigen-associated immunosuppressant

It inhibits IgE-mediated histamine release. 3-(4-Chlorophenoxy)-1,2-propanediol is also used as an antimycotic agent. It is a centrally acting muscle relaxant.

Spezifikationen

Synonyme

Spezifikationen & Reinheit

≥99%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Aktionsart

INHIBITOR

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

504751430

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751430

Kanonisches Lächeln

C1=CC(=CC=C1OCC(CO)O)Cl

IUPAC Name

3-(4-chlorophenoxy)propane-1,2-diol

InChIKey

MXOAEAUPQDYUQM-UHFFFAOYSA-N

INCHI

1S/C9H11ClO3/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,11-12H,5-6H2

Isomere SMILES

C1=CC(=CC=C1OCC(CO)O)Cl

Molekulargewicht

202.63

Reaxy-Rn

2210845

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2210845&ln=

Dokumentation

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Erweiterte Daten

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Klasse Phenol ethers

Kingdom	Organic compounds
Superclass	Benzenoids
Klasse	Phenol ethers
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenol ethers
Alternative Parents	Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Aryl chlorides Secondary alcohols 1,2-diols Primary alcohols Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - 1,2-diol - Secondary alcohol - Ether - Organic oxygen compound - Organooxygen compound - Organochloride - Organohalogen compound - Alcohol - Primary alcohol - Hydrocarbon derivative - Aromatic homomonocyclic compound
Beschreibung	This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
External Descriptors	propane-1,2-diols - monochlorobenzenes - glycol
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

3D-Struktur

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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PGR Tclin Progesterone receptor (8562 Activities)

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ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

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CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)

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HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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DRD2 Tclin Dopamine D2 receptor (23596 Activities)

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GABRA1 Tclin GABA receptor alpha-1 subunit (399 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

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HRH2 Tclin Histamine H2 receptor (5428 Activities)

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HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)

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HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 Activities)

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AVPR2 Tclin Vasopressin V2 receptor (2912 Activities)

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ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

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AGTR1 Tclin Type-1 angiotensin II receptor (5176 Activities)

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

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PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

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HRH1 Tclin Histamine H1 receptor (7573 Activities)

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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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DRD3 Tclin Dopamine D3 receptor (14368 Activities)

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AVPR1A Tclin Vasopressin V1a receptor (5412 Activities)

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OPRD1 Tclin Delta opioid receptor (15096 Activities)

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OPRK1 Tclin Kappa opioid receptor (16155 Activities)

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HTR3A Tclin Serotonin 3a (5-HT3a) receptor (3366 Activities)

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

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GRIN1 Tclin Glutamate (NMDA) receptor subunit zeta 1 (122 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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CACNA1C Tclin Voltage-gated L-type calcium channel alpha-1C subunit (766 Activities)

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PDE3A Tclin Phosphodiesterase 3A (3309 Activities)

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SLC29A1 Tclin Equilibrative nucleoside transporter 1 (1711 Activities)

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ADRA2B Tclin Alpha-2b adrenergic receptor (4412 Activities)

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ADRA2C Tclin Alpha-2c adrenergic receptor (4876 Activities)

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CHRM3 Tclin Muscarinic acetylcholine receptor M3 (7750 Activities)

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HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)

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TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)

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ADORA2A Tclin Adenosine A2a receptor (16305 Activities)

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ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

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BDKRB2 Tclin Bradykinin B2 receptor (3970 Activities)

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HRH3 Tclin Histamine H3 receptor (10389 Activities)

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CHRNA4 Tclin Neuronal acetylcholine receptor protein alpha-4 subunit (1265 Activities)

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MC3R Tchem Melanocortin receptor 3 (5659 Activities)

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Mc4r Melanocortin receptor 4 (1205 Activities)

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Npy1r Neuropeptide Y receptor type 1 (8 Activities)

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Cckar Cholecystokinin A receptor (90 Activities)

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Pde4d Phosphodiesterase 4D (4 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Trichophyton mentagrophytes (4846 Activities)

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Wirkungsmechanismen

Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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17 results found

Lot Number	Certificate Type	Datum	Artikel
L2426137	Certificate of Analysis	Sep 22, 2026	C131938
B2301602	Certificate of Analysis	Aug 03, 2026	C131938
H2511117	Certificate of Analysis	Aug 20, 2025	C131938
F2518069	Certificate of Analysis	Aug 20, 2025	C131938
H2617035	Certificate of Analysis	Dec 30, 2024	C131938
E2607043	Certificate of Analysis	Dec 30, 2024	C131938
D2514326	Certificate of Analysis	May 06, 2024	C131938
C2201510	Certificate of Analysis	Dec 25, 2023	C131938
A2208303	Certificate of Analysis	Oct 12, 2023	C131938
A2208348	Certificate of Analysis	Oct 12, 2023	C131938
A2208342	Certificate of Analysis	Oct 12, 2023	C131938
A2208337	Certificate of Analysis	Oct 12, 2023	C131938
C2202047	Certificate of Analysis	Mar 08, 2022	C131938
C2202046	Certificate of Analysis	Mar 08, 2022	C131938
F23061254	Certificate of Analysis	Dec 17, 2021	C131938
F23061343	Certificate of Analysis	Dec 17, 2021	C131938
F2418108	Certificate of Analysis	Dec 17, 2021	C131938

Chemische und physikalische Eigenschaften

Löslichkeit	Slightly soluble in water.
Empfindlichkeit	Air Sensitive
Spezifische Drehung [α]	+3.0 to +5.0 deg(C=1, H2O)
Siedepunkt (°C)	208 °C/4 mmHg
Schmelzpunkt (°C)	80 °C
Molekulargewicht	202.630 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	202.04 Da
Monoisotopic Mass	202.04 Da
Topological Polar Surface Area	49.700 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	135.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

FAQs und Artikel

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What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 104-29-0, the molecular formula is C9H11ClO3, and the molecular weight is 202.63 g/mol. InChIKey MXOAEAUPQDYUQM-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

📚 Zitationen nach Anwendung

Polymer synthesis & polymerization1

Other applications2

Extraction & workup solvent2

Chromatography (HPLC / GC / TLC)1

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