Bis(4-nitrophenyl) hydrogen phosphate

Basic Information

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CAS Number

645-15-8

Molecular Formula

C12H9N2O8P

Molecular Weight

340.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Insecticides

Basic Physical Properties

Melting Point

175.0 to 179.0 deg-C

Boiling Point

545.7 °C at 760 mmHg

Density

1.6140

Water Solubility

almost transparency

Flash Point

283.8 °C

SMILES

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C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)OC2=CC=C(C=C2)[N+](=O)[O-]

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

LogP

4.10760

Complexity

434

Safety Information

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GHS Hazard Pictograms

H300

Hazard Statement

H300 Fatal if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

HMS3085F04
Phosphoric acid, bis(4-nitrophenyl) ester
F11268
Phosphoric acid bis(p-nitrophenyl) ester
EINECS 211-434-7
645-15-8
Bis(4-nitrophenyl)phosphoric acid
W-104830
4-06-00-01330 (Beilstein Handbook Reference)
B4N
Phosphorsaeure-bis-(p-nitro-phenylester) [German]
UNII-1MF77LEI63
AC-19748
Phosphoric Acid Bis(4-nitrophenyl) Ester
B1098
Phosphoric Acid Bis-(4-nitro-phenyl)ester
Bis(4-nitrophenyl) hydrogen phosphate #
1MF77LEI63
Bis(4-nitrophenyl) phosphate, 99%
CHEMBL1231178
Phosphorsaeure-bis-(p-nitro-phenylester)
di-p-nitrophenyl phosphate
BDBM50130915
FT-0632740
Phosphoric acid, bis(p-nitrophenyl) ester
DB07418
SCHEMBL223704
AS-17229
DTXSID20870742
NSC59824
bis(4-nitrophenyl) phosphate

MDL Number

MFCD00007318

Customs Code

29199000

FAQ

What are the physical and chemical properties of Bis(4-nitrophenyl) hydrogen phosphate (CAS: 645-15-8)?

Bis(4-nitrophenyl) hydrogen phosphate (CAS: 645-15-8) is a crystalline compound with a molecular weight of approximately 296.12 g/mol. It is moderately soluble in water and less soluble in organic solvents. The compound is known for its low reactivity under normal conditions but can be sensitive to strong acids and bases. It has a melting point of around 235°C and a density of approximately 1.5 g/cm³.

How is Bis(4-nitrophenyl) hydrogen phosphate (CAS: 645-15-8) typically synthesized?

Bis(4-nitrophenyl) hydrogen phosphate (CAS: 645-15-8) is typically synthesized by the reaction of 4-nitrophenol with phosphoric acid. This process involves the condensation of 4-nitrophenol with phosphoric acid in a suitable solvent under reflux conditions. The reaction is carried out in the presence of a catalyst such as anhydrous phosphoric acid, which helps to improve the yield and selectivity of the product. The overall yield of the reaction can be up to 85%.

What industries use Bis(4-nitrophenyl) hydrogen phosphate (CAS: 645-15-8)?

Bis(4-nitrophenyl) hydrogen phosphate (CAS: 645-15-8) is primarily used in the pharmaceutical industry, where it serves as a precursor for the synthesis of certain drugs. It is also utilized in the polymer industry as a stabilizer and in the sensor industry for the detection of specific chemical species. Additionally, it has applications in the semiconductor industry as a dopant for certain materials.

What precautions should be taken when handling Bis(4-nitrophenyl) hydrogen phosphate (CAS: 645-15-8)?

When handling Bis(4-nitrophenyl) hydrogen phosphate (CAS: 645-15-8), it is crucial to use proper personal protective equipment (PPE) such as gloves, goggles, and lab coats. Ensure that the work is conducted in a well-ventilated fume hood to minimize exposure to airborne particles. Spills should be cleaned up using appropriate absorbent materials and the area should be rinsed with water. In case of contact with the skin or eyes, flush with water immediately and seek medical attention. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage.