[1-Hydroxy-2-(1H-imidazol-1-yl)-1,1-ethanediyl]bis(phosphonic acid) hydrate (1:1)

Basic Information

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CAS Number

165800-06-6

Molecular Formula

C5H12N2O8P2

Molecular Weight

290.1 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Insecticides

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

249-257°C

Boiling Point

764 °C at 760 mmHg

Flash Point

415.8 °C

Solubility

H2O: ≥2mg/mL

SMILES

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O.OC(Cn1ccnc1)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C5H10N2O7P2.H2O/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7;/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14);1H2

InChIKey

FUXFIVRTGHOMSO-UHFFFAOYSA-N

LogP

-1.9401000000000006

Topological Polar Surface Area

184.60999999999999 Å²

Hydrogen Bond Donor/Acceptor

7 / 10

Complexity

327

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H361 Suspected of damaging fertility or the unborn child
Reproductive toxicity

Synonyms & References

English

Zoledronic acid hydrate
(1-Hydroxy-2-imidazol-1-yl-1-phosphono-ethyl)phosphonic acid hydrate
(1-Hydroxy-2-imidazol-1-ylethylidene)diphosphonic acid monohydrate
Zoledronic Acid Monohydrate
(1-Hydroxy-2-(1H-imidazol-1-yl)ethane-1,1-diyl)diphosphonic acid hydrate
Zoledronic Acid
Zoledronic Acid (hydrate)
(1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid,hydrate
1-Hydroxy-2-(1-imidazolyl)ethane-1,1-diphosphonic Acid Monohydrate
CGP 42446 monohydrate
CGP42446A monohydrate
ZOL 446 monohydrate
Zoledronate monohydrate
P,P′-[1-Hydroxy-2-(1H-imidazol-1-yl)ethylidene]bisphosphonic acid monohydrate
[1-hydroxy-2-(1H-imidazol-1-yl)ethane-1,1-diyl]bis(phosphonic acid) monohydrate
Acid, the
oledronic acid
ZoledronicacidforInjection
Zoledronic acid (CGP 42446) monohydrate
1-Hydroxy-2-(1-imidazolyl)ethane-1,1-diphos
Zoledronic acid monohydrate
zoledronic acid hydrate
ZOLEDRONIC ACID MONOHYDRATE
Zoledronic acid monohydrate, >=99%
Zoledronic acid monohydrate, 98%, Bone resorption inhibitor

MDL Number

MFCD08448695

Customs Code

2933290090

FAQ

What are the physical and chemical properties of [1-Hydroxy-2-(1H-imidazol-1-yl)-1,1-ethanediyl]bis(phosphonic acid) hydrate (CAS: 165800-06-6)?

This compound is a hydrate of bis(phosphonic acid) with a crystalline form. The molecular weight is approximately 386.2 g/mol. It has low solubility in water and exhibits moderate reactivity towards metal ions. It is stable under normal conditions but should be handled with care to avoid moisture exposure.

How is [1-Hydroxy-2-(1H-imidazol-1-yl)-1,1-ethanediyl]bis(phosphonic acid) hydrate (CAS: 165800-06-6) typically synthesized?

This compound is typically synthesized through a multi-step process involving the reaction of imidazole with phosphonic acid. The synthesis involves the formation of a phosphonimidazolyl intermediate, followed by further reactions to form the hydrate. The exact conditions, such as temperature and pressure, can vary depending on the specific method used.

What industries use [1-Hydroxy-2-(1H-imidazol-1-yl)-1,1-ethanediyl]bis(phosphonic acid) hydrate (CAS: 165800-06-6)?

This compound finds applications in various industries due to its unique properties. It is used in pharmaceuticals for chelation therapy, in polymers for anti-corrosion agents, in sensors for metal ion detection, and in semiconductors for cleaning processes. Its ability to form stable complexes with metal ions makes it particularly useful in these applications.

What precautions should be taken when handling [1-Hydroxy-2-(1H-imidazol-1-yl)-1,1-ethanediyl]bis(phosphonic acid) hydrate (CAS: 165800-06-6)?

When handling this compound, it is important to use personal protective equipment (PPE) such as gloves and safety goggles. Work should be conducted in a well-ventilated area or fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.