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447-05-2

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Basic Information
CAS No.: 447-05-2
Name: 5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridylmethyl dihydrogen phosphate
Article Data: 11
Molecular Structure:
Molecular Structure of 447-05-2 (5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridylmethyl dihydrogen phosphate)
Formula: C8H12 N O6 P
Molecular Weight: 249.16
Synonyms: 3,4-Pyridinedimethanol,5-hydroxy-6-methyl-, a3-(dihydrogen phosphate) (9CI); Pyridoxol, 5-(dihydrogen phosphate)(6CI,7CI,8CI); NSC 83119; Pyridoxine 5-phosphate; Pyridoxine 5'-phosphate;Pyridoxine phosphate; Pyridoxol 5'-phosphate
Density: 1.628g/cm3
Melting Point: 123-126oC
Boiling Point: 638.5°Cat760mmHg
Flash Point: 340°C
Safety: Mildly toxic by ingestion and other routes. When heated to decomposition it emits toxic fumes of NOx and POx.
PSA: 129.92000
LogP: 0.19720
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Chemistry

Molecular Structure of Pyridoxine phosphate (CAS NO.447-05-2):

Molecular Formula: C8H12NO6P
Molecular Weight: 249.1577
IUPAC Name: [5-Hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate
Synonyms of Pyridoxine phosphate (CAS NO.447-05-2): 4-21-00-02516 (Beilstein Handbook Reference) ; BRN 0233737 ; EINECS 207-179-6 ; NSC 83119 ; Pyridoxine 5-phosphate ; Pyridoxol 5-phosphate ; Pyridoxyl-5-phosphate ; 3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, alpha(3)-(dihydrogen phosphate) ; 3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, alpha(sup 3)-(dihydrogen phosphate) (9CI) ; 5-Hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridylmethyl dihydrogen phosphate ; Pyridoxol, 5-(dihydrogen phosphate)
CAS NO: 447-05-2
Mol File: 447-05-2.mol 
Index of Refraction: 1.625
Molar Refractivity: 54.1 cm3
Molar Volume: 153 cm3
Surface Tension: 88.7 dyne/cm
Density: 1.628 g/cm3
Flash Point: 340 °C
Enthalpy of Vaporization: 99.11 kJ/mol
Boiling Point: 638.5 °C at 760 mmHg
Vapour Pressure of Pyridoxine phosphate (CAS NO.447-05-2): 3.54E-17 mmHg at 25°C 

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 5600mg/kg (5600mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD		 Gendai no Rinsho. Vol. 1, Pg. 493, 1967.
mouse LD50 oral 7800mg/kg (7800mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: TREMOR

BEHAVIORAL: ATAXIA		 Gendai no Rinsho. Vol. 1, Pg. 493, 1967.
mouse LD50 subcutaneous 7100mg/kg (7100mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: TREMOR

BEHAVIORAL: ATAXIA		 Gendai no Rinsho. Vol. 1, Pg. 493, 1967.
rat LD50 intraperitoneal 7400mg/kg (7400mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Gendai no Rinsho. Vol. 1, Pg. 493, 1967.

Safety Profile

Mildly toxic by ingestion and other routes. When heated to decomposition it emits toxic fumes of NOx and POx.