Basic Description

Synonyms	HMS3085F04 \| AS-17229 \| Phosphoric Acid Bis-(4-nitro-phenyl)ester \| 4-06-00-01330 (Beilstein Handbook Reference) \| NSC 59824 \| 1MF77LEI63 \| Phosphoric acid, bis(p-nitrophenyl) ester \| NSC59824 \| NSC-59824 \| Bis(4-nitrophenyl)phosphate \| UNII-1MF77LEI63 \|
Specifications & Purity	≥99%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Organic phosphoric acids and derivatives
    - Subclass Phosphate esters
      - Level5 Aryl phosphates
        Level6 Aryl phosphodiesters

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Organic phosphoric acids and derivatives
Subclass	Phosphate esters
Intermediate Tree Nodes	Aryl phosphates
Direct Parent	Aryl phosphodiesters
Alternative Parents	Nitrobenzenes Phenoxy compounds Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aryl phosphodiester - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl phosphodiesters. These are aryl phosphates in which the phosphate is esterified at exactly two positions.
External Descriptors	aryl phosphate
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

Associated Targets(Human)

CES1 Tchem Liver carboxylesterase 1 (3 Activities)

Discover Target: CES1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CES2 Tchem Carboxylesterase 2 (583 Activities)

Discover Target: CES2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CES1 Tchem Acyl coenzyme A:cholesterol acyltransferase (1029 Activities)

Discover Target: CES1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RAN Tchem GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1 (21853 Activities)

Discover Target: RAN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KPNB1 Tbio Importin subunit beta-1/Snurportin-1 (25097 Activities)

Discover Target: KPNB1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Carboxylesterase (379 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BCHE Cholinesterase (8742 Activities)

Discover Target: BCHE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488179506
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488179506
IUPAC Name	bis(4-nitrophenyl) hydrogen phosphate
INCHI	InChI=1S/C12H9N2O8P/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,19,20)
InChIKey	MHSVUSZEHNVFKW-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)OC2=CC=C(C=C2)[N+](=O)[O-]
Isomeric SMILES	C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)OC2=CC=C(C=C2)[N+](=O)[O-]
WGK Germany	3
RTECS	TB8260000
UN Number	2811
Molecular Weight	340.18
Beilstein	6(1)121
Reaxy-Rn	2064857
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2064857&ln=

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.

14 results found

Lot Number	Certificate Type	Date	Item
I2107078	Certificate of Analysis	Jun 09, 2025	B113674
I1814010	Certificate of Analysis	Jul 19, 2022	B113674
H1721011	Certificate of Analysis	Jul 19, 2022	B113674
H2209172	Certificate of Analysis	Jun 30, 2022	B113674
H2209164	Certificate of Analysis	Jun 30, 2022	B113674
H2209166	Certificate of Analysis	Jun 30, 2022	B113674
B2512017	Certificate of Analysis	Jun 30, 2022	B113674
B2512100	Certificate of Analysis	Jun 30, 2022	B113674
B2512107	Certificate of Analysis	Jun 30, 2022	B113674
H2209167	Certificate of Analysis	Jun 30, 2022	B113674
H2209165	Certificate of Analysis	Jun 30, 2022	B113674
C1810050	Certificate of Analysis	Jan 19, 2022	B113674
E2325038	Certificate of Analysis	Mar 13, 2021	B113674
B2318384	Certificate of Analysis	Mar 13, 2021	B113674

Show more⌵

Chemical and Physical Properties

Solubility	Solubility in Water almost transparency
Melt Point(°C)	176°C
Molecular Weight	340.180 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	340.01 Da
Monoisotopic Mass	340.01 Da
Topological Polar Surface Area	147.000 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	434.000
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Jinhua Li, Namrta Choudhry, Gang Lv, Naganna Nimishetti, Mallu Chenna Reddy, Hong Liu, Thaddeus D. Allen, Jing Zhang, Dun Yang. (2023) In-vitro metabolism of LXY18, an orally available, potent blocker of AURKB relocation in mitosis. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, 232 (115415).
2. Lizheng Duan, Tian Wu, Guizhen Hu, Jialu Yang, Yanmei Zhou. (2023) Deferasirox derivative-based fluorescent probes for the potential diagnosis and therapy of iron overload-induced hepatocellular carcinoma by cellular and zebrafish experiments. CHEMICAL ENGINEERING JOURNAL, 452 (139444).
3. Ge Fang, Ruonan Kang, Yu Chong, Liming Wang, Chuanqiang Wu, Cuicui Ge. (2023) MOF-based DNA hydrolases optimized by atom engineering for the removal of antibiotic-resistant genes from aquatic environment. APPLIED CATALYSIS B-ENVIRONMENTAL, 320 (121931).
4. Kai Yao, Yanqing Wang, Yanyou Wu. (2022) Competition and Niche Differentiation of Water and Nutrients between Broussonetia papyrifera and Platycladus orientalis under Prolonged Drought Stress. Agronomy-Basel, 12 (7): (1489).
5. Haolu Hu, Xiaoxia Kang, Zhenhua Shan, Xiaoxiao Yang, Wei Bing, Li Wu, Haiyan Ge, Haiwei Ji. (2022) A DNase-mimetic artificial enzyme for the eradication of drug-resistant bacterial biofilm infections. Nanoscale, 14 (7): (2676-2685).
6. Can Wu, Chunlu Wang, Yaoyao Zheng, Yaxin Zheng, Ziqi Liu, Keming Xu, Wenying Zhong. (2021) Triple Enzyme-Regulated Molecular Hydrogels for Carrier-Free Delivery of Lonidamine. ADVANCED FUNCTIONAL MATERIALS, 31 (42): (2104418).
7. Xiangchuan Wu, Jinhui Wei, Chengyuan Wu, Guangping lv, Lina Wu. (2021) ZrO2/CeO2/polyacrylic acid nanocomposites with alkaline phosphatase-like activity for sensing. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 263 (120165).
8. Qian Yi, Han Haoyue, Li Long, Qiao Peng, Chang Guozhang. (2020) Flame retardancy and smoke suppression effect of bis(4-nitrophenyl) phosphate modified layered double hydroxides derived from red mud in thermoplastic polyurethanes. Journal of Material Cycles and Waste Management, 22 (5): (1648-1661).
9. Ting Tai,Huan Zhou,Ting Zhu,Yu-Meng Jia,Jin-Zi Ji,Yi-Fei Li,Qiong-Yu Mi,Hong-Guang Xie. (2019-12-24) Development and validation of a UPLC-MS/MS method for simultaneous determination of vicagrel and its major metabolites in rat or human plasma: An optimized novel strategy for the stabilization of vicagrel.. Journal of pharmaceutical and biomedical analysis, 179 (112955-112955).
10. Yusha Huang, Longcheng Gong, Chengli Xie, Wenling Qin, Min Wang, Lianzhe Hu, Zhining Xia. (2025) Anchoring biomimetic Zn site in metal–organic framework nanozyme to enhance phosphatase-like catalytic activity for discrimination of organophosphorus pesticides. CHEMICAL ENGINEERING JOURNAL, 506 (160046).
11. Jieran Yao, Zhenhong Luo, Jiaying Lin, Na Meng, Jiangna Guo, Hui Xu, Rongwei Shi, Linhui Zhao, Jiateng Zhou, Feng Yan, Bin Wang, Hailei Mao. (2024) Antimicrobial and Antiviral Nanofibers Halt Co-Infection Spread via Nuclease-Mimicry and Photocatalysis. Advanced Science, (2309590).
12. Jiale Dong, Wei Zhou, Xianli Hu, Jiaxiang Bai, Siming Zhang, Xianzuo Zhang, Lei Yu, Peng Yang, Lingtong Kong, Mingkai Liu, Xifu Shang, Zheng Su, Dechun Geng, Chen Zhu. (2024) Honeycomb-inspired ZIF-sealed interface enhances osseointegration via anti-infection and osteoimmunomodulation. BIOMATERIALS, 307 (122515).
13. Donglin Xiang, Shuyi Qiu, Laping He, Chun Ji, Jiayu Chen, Yuangen Wu, Han Tao. (2024) Purification, characterization of a plant esterase from red kidney bean and its feasibility for pesticide residue analysis in foods. Food Bioscience, 59 (103944).

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

=

Concentration

x

Volume

x

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

x

Volume 1 (V1)

=

Concentration 2 (C2)

x

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

=

Mass (in vial)

÷

Desired Reconstitution Concentration

SKU	Size	Availability	Price
B113674-1g	1g	5	$71.90
B113674-5g	5g	3	$320.90
B113674-10g	10g	3	$577.90
B113674-25g	25g	3	$1,298.90
B113674-100g	100g	3	$4,674.90
B113674-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$21,036.90

Bis(4-nitrophenyl) phosphate - 99%, high purity , CAS No.645-15-8