Phosalone solution - analytical standard, 100μg/ml in acetone , CAS No.2310-17-0

CAS: 2310-17-0 Cat. No.: P114591 분자식: C12H15ClNO4PS2 분자량: 367.81 EC 번호: 218-996-2
주문 가능
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. 100μg/ml in acetone
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
Size
USA
독일 (EU)*
Price
Qty
1ml
P114591-1ml
1 재고 있음

US$34.90

US$52.90
저장 US$18.00 (34.03%)
2ml
P114591-2ml
2 재고 있음

US$54.90

US$82.90
저장 US$28.00 (33.78%)
Enter a quantity for the sizes you want to add.
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Why this grade

analytical standard, 100μg/ml in acetone 분석 표준물질 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.

📋

Quality documents

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

📚

Literature proof

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

Specifications

동의어
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
사양 및 순도
analytical standard, 100μg/ml in acetone
보관 조건
Room temperature
배송
Normal
등급
분석 표준물질
이름과 식별자
Pubchem Sid528769943
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/528769943
정식 스마일CCOP(=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
이성체 SMILES CCOP(=S)(OCC)SCN1C2=C(C=C(C=C2)Cl)OC1=O
분자량 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.

Download SDS →

✅ Certificate of Analysis (COA)

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

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
분류Benzoxazoles
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
설명This 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 구조
상호 작용 화학 구조 모델





관련 대상(인간)
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
관련 대상(비인간)
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
작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
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 Type날짜항목
G1524049Certificate of AnalysisAug 13, 2026 P114591
F1524126Certificate of AnalysisJul 07, 2026 P114591
화학 및 물리적 특성
용해성Insoluble in water, easily soluble in methanol, ethanol, and aromatic hydrocarbons.
감도Light sensitive.
발화점(°C)100°C
녹는점(°C)48°C
분자량367.800 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
참고 문헌
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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