Phosalone - analytical standard , CAS No.2310-17-0

CAS: 2310-17-0 Cat. No.: P114588 Molecular Weight: 367.81 EC Number: 218-996-2
AVAILABLE TO ORDER
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
Synonyms
Benzphos | S-((6-Chloro-2-oxo-3(2H)-benzoxazolyl)methyl) O,O-diethyl phosphorodithioate | 3-(6-Chloro-2-oxobenzoxazolin-3-yl)methyl-O,O-diethyl phosphorothiolothionate | 3-(O,O-Diethyldithiophosphorylmethyl)-6-chlorobenzoxazolinone | CCG-2037 | Phosalone
Storage
Room temperature
Shipped In
Normal
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Size
Status
Price
Qty
25mg
P114588-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$51.90

$60.90
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100mg
P114588-100mg
1

$164.90

$192.90
Save $28.00 (14.52%)
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Why this grade

analytical standard Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 9 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
Benzphos | S-((6-Chloro-2-oxo-3(2H)-benzoxazolyl)methyl) O, O-diethyl phosphorodithioate | 3-(6-Chloro-2-oxobenzoxazolin-3-yl)methyl-O, O-diethyl phosphorothiolothionate | 3-(O, O-Diethyldithiophosphorylmethyl)-6-chlorobenzoxazolinone | CCG-2037 | Phosalone
Specifications & Purity
analytical standard
Storage
Room temperature
Shipped In
Normal
Grade
Analytical standard
Names and Identifiers
Canonical SmilesCCOP(=S)(OCC)SCN1C2=C(C=C(C=C2)Cl)OC1=O
IUPAC Name6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one
InChIKeyIOUNQDKNJZEDEP-UHFFFAOYSA-N
INCHI1S/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3
Isomeric SMILES CCOP(=S)(OCC)SCN1C2=C(C=C(C=C2)Cl)OC1=O
Molecular Weight 367.81
Reaxy-Rn 694650
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=694650&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassBenzoxazoles
SubclassBenzoxazolones
Intermediate Tree Nodes Not available
Direct ParentBenzoxazolones
Alternative Parents Aryl chlorides  Benzenoids  Dithiophosphate O-esters  Dithiophosphate S-esters  Oxazoles  Heteroaromatic compounds  Sulfenyl compounds  Azacyclic compounds  Oxacyclic compounds  Organothiophosphorus compounds  Organooxygen compounds  Organopnictogen compounds  Hydrocarbon derivatives  Organic oxides  Organochlorides  Organonitrogen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzoxazolone - Aryl chloride - Aryl halide - Dithiophosphate o-ester - Dithiophosphate s-ester - Benzenoid - Azole - Oxazole - Heteroaromatic compound - Organic dithiophosphate - Organothiophosphorus compound - Sulfenyl compound - Oxacycle - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzoxazolones. These are organic compounds containing a benzene fused to an oxazole ring (a five-member aliphatic ring with three carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group.
External Descriptors Organophosphorus insecticides
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AR Tclin Androgen Receptor (11781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
VDR Tclin Vitamin D receptor (26531 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RXRA Tclin Retinoid X receptor alpha (3637 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AHR Tclin Aryl hydrocarbon receptor (1071 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LMNA Tbio Prelamin-A/C (36751 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
GCN5 Histone acetyltransferase GCN5 (89 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot NumberCertificate TypeDateItem
D1303003Certificate of AnalysisMar 20, 2026 P114588
J2529652Certificate of AnalysisJun 17, 2024 P114588
Chemical and Physical Properties
SolubilityInsoluble in water, easily soluble in methanol, ethanol, and aromatic hydrocarbons.
SensitivityLight sensitive.
Flash Point(°C)100°C
Melt Point(°C)48°C
Molecular Weight367.800 g/mol
XLogP34.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass366.987 Da
Monoisotopic Mass366.987 Da
Topological Polar Surface Area105.000 Ų
Heavy Atom Count21
Formal Charge0
Complexity418.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Tingting Lang, Meiyu Xiao, Wenyang Cen.  (2023)  Graphene-Based Metamaterial Sensor for Pesticide Trace Detection.  Biosensors-Basel,  13  (5): (560).  [PMID:37232921] [10.3390/bios13050560]
2. Cheng Ye, Meng He, Zhengdong Zhu, Xiaoyi Shi, Maofeng Zhang, Zhiyong Bao, Youju Huang, Changlong Jiang, Jianhua Li, Yucheng Wu.  (2022)  A portable SERS sensing platform for the multiplex identification and quantification of pesticide residues on plant leaves.  Journal of Materials Chemistry C,  10  (36): (12966-12974).  [PMID:] [10.1039/D2TC02926J]
3. Mei-Lan Du, Cheng Yang, Hai-Long Qian, Xiu-Ping Yan.  (2022)  Hydroxyl-functionalized three-dimensional covalent organic framework for selective and rapid extraction of organophosphorus pesticides.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:35500388] [10.1016/j.chroma.2022.463071]
4. Linfeng Chen, Xike Tian, Yong Li, Liqiang Lu, Yulun Nie, Yanxin Wang.  (2020)  Broad-spectrum pesticide screening by multiple cholinesterases and thiocholine sensors assembled high-throughput optical array system.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:33254811] [10.1016/j.jhazmat.2020.123830]
5. Yaseen Tehseen, Pu Hongbin, Sun Da-Wen.  (2019)  Effects of Ions on Core-Shell Bimetallic Au@Ag NPs for Rapid Detection of Phosalone Residues in Peach by SERS.  Food Analytical Methods,  12  (9): (2094-2105).  [PMID:] [10.1007/s12161-019-01454-2]
6. Kang Yan, Li Long, Chen Wanchao, Zhang Feiyu, Du Yiping, Wu Ting.  (2018)  Rapid In Situ SERS Analysis of Pesticide Residues on Plant Surfaces Based on Micelle Extraction of Targets and Stabilization of Ag Nanoparticle Aggregates.  Food Analytical Methods,  11  (11): (3161-3169).  [PMID:] [10.1007/s12161-018-1290-2]
7. Qianqian Lu, Lingling Guo, Xinxin Xu, Hua Kuang, Liqiang Liu, Chuanlai Xu, Maozhong Sun.  (2025)  A multiplex fluorescent microsphere immunochromatography assay for simultaneous detection of phorate, fenthion, and profenofos.  FOOD CHEMISTRY,      [PMID:39808984] [10.1016/j.foodchem.2025.142850]
8. Kangmiao Guo, Xiaokun Wu, Fan Zhang, Ying Cao, Zenglei Tan, Shuwen Xiao, Lijie Wu.  (2024)  Deep Eutectic Solvents-Based Ultrasonic-Assisted Dispersive Liquid–Liquid Microextraction for the Determination of Organophosphorus Pesticides in Honeysuckle Dew Samples.  MOLECULES,  29  (14): (3423).  [PMID:39065001] [10.3390/molecules29143423]
9. Yaqing Zhao, Yaming Sun, Chenchen Song, Hailiang Zhao, Shiqi Chai, Xuemeng Xu, Lijun He.  (2025)  Defect-rich Co/N-doped hierarchically porous carbons for rapid and highly efficient adsorption of organophosphorus pesticides from environmental water.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:39855024] [10.1016/j.chroma.2025.465700]
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