(4-Formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate hydrate (1:1)

Basic Information

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CAS Number

41468-25-1

Molecular Formula

C8H12NO7P

Molecular Weight

265.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

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

Basic Physical Properties

Melting Point

140-143 °C

Boiling Point

565.7ºC at 760 mmHg

Water Solubility

5 g/L (20 ºC)

Flash Point

296 ºC

SMILES

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CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O.O

InChI

InChI=1S/C8H10NO6P.H2O/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14;/h2-3,11H,4H2,1H3,(H2,12,13,14);1H2

InChIKey

CEEQUQSGVRRXQI-UHFFFAOYSA-N

LogP

-0.30728000000000005

Topological Polar Surface Area

148.45 Å²

Hydrogen Bond Donor/Acceptor

5 / 8

Complexity

292

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Sensitiveness

Light Sensitive

Synonyms & References

English

Pyridoxal 5'-?phosphate (monohydrate)
(4-Formyl-5-hydroxy-6-methyl-3-pyridyl)methyl dihydrogen phosphate monohydrate
PYRIDOXAL-5'-PHOSPHATE MONOHYDRATE
3-Hydroxy-2-methyl-5-([phosphonooxy]methyl)-4-pyridinecarboxaldehyde monohydrate
HY-W011727A
Pyridoxal 5'-hosphate (monohydrate)
Pyridoxal 5'-phosphate monohydrate
Avastrem
(4-ormyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate;hydrate
CHEMBL3181870
Cardoxal
Pyridoxal-5-monophosphoric acid ester monohydrate
5V5IOJ8338
Pyridoxal-5-phosphate Monohydrate
Phosphopyridoxal monohydrate
AC-30878
SCHEMBL827100
Hipyridoxin (TN)
Q27888204
41468-25-1
PYRIDOXAL 5-PHOSPHATE MONOHYDRATE [WHO-DD]
Pyridoxal, 5-(dihydrogen phosphate), monohydrate
Pyridoxal phosphate [JAN]
Pyridoxal 5'-phosphate (monohydrate)
Pyridoxal phosphate hydrate
Pyridoxal 5'-phosphate (hydrate)
Pyridoxal 5-phosphate monohydrate
CCG-267094
(4-Formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate hydrate(1:x)
4-Pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-((phosphonooxy)methyl)-, monohydrate
CAS-41468-25-1

MDL Number

MFCD00149414

Customs Code

2936250000

FAQ

What is (4-Formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate hydrate (1:1) (CAS: 41468-25-1)?

(4-Formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate hydrate (1:1), with the CAS number 41468-25-1, is a phosphate derivative containing a pyridine ring. It has the chemical formula C10H14N2O10P2 and is commonly used in chemical research for its functional groups, including the formyl, hydroxy, and methyl substituents. The compound is a white solid and is typically used in aqueous solutions due to its hydrate form.

What are the main uses of (4-Formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate hydrate (1:1) (CAS: 41468-25-1)?

(4-Formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate hydrate (1:1) is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in organic synthesis, biochemistry, and as a reagent in laboratory settings. Its unique structure makes it valuable for studying chemical reactivity and for the preparation of various derivatives in research and development.

Is (4-Formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate hydrate (1:1) (CAS: 41468-25-1) safe?

The safety of (4-Formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate hydrate (1:1) depends on its handling and application. It is generally considered safe when used in controlled laboratory environments, but proper protective equipment, such as gloves and goggles, should be worn. Safety standards suggest avoiding inhalation and skin contact, and it should be handled in well-ventilated areas to minimize exposure risks.

How should (4-Formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate hydrate (1:1) (CAS: 41468-25-1) be stored?

(4-Formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate hydrate (1:1) should be stored in a cool, dry place away from direct light. It is best kept in a sealed container at a temperature below 25°C and with low humidity to maintain stability. Avoid exposure to moisture and ensure proper labeling to ensure safe handling and storage practices.