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532-40-1

532-40-1 Structure

532-40-1 Structure
IdentificationBack Directory
[Name]

THIAMINE MONOPHOSPHATE CHLORIDE
[CAS]

532-40-1
[Synonyms]

Thiamin-p
Thiamine-p
Thiamine-pi
Phosphothiaminum
Thiamin phosphate
Thiamine phosphate
monophosphothiamine
thiaminemonophosphate
Thiamin monophosphate
LABOTEST-BB LT00847627
Thiamin monophosphate chloride
THIAMINE MONOPHOSPHATE CHLORIDE
VitaMin B1 Monophosphate Chloride
3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]thiazolium
3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(2-phosphonooxyethyl)thiazol-3-ium
3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]thiazol-3-ium
Thiazolium, 3-(4-amino-2-methyl-5-pyrimidinyl)methyl-4-methyl-5-2-(phosphonooxy)ethyl-, chloride
3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-thiazolium chloride
Phosphoric acid 2-[[3-[(2-methyl-4-amino-5-pyrimidinyl)methyl]-4-methylthiazolium]5-yl]ethyl ester
3-((4-aMino-2-MethylpyriMidin-5-yl)Methyl)-4-Methyl-5-(2-(phosphonooxy)ethyl)thiazol-3-iuM chloride
[EINECS(EC#)]

208-536-9
[Molecular Formula]

C12H18ClN4O4PS
[MDL Number]

MFCD00063473
[MOL File]

532-40-1.mol
[Molecular Weight]

380.79
Chemical PropertiesBack Directory
[Appearance]

Crystalline
[Melting point ]

~200°
[density ]

1.53[at 20℃]
[storage temp. ]

2-8°C
[solubility ]

Methanol (Slightly), Water (Slightly)
[form ]

Solid
[color ]

White to Off-White
[Water Solubility ]

176g/L at 20℃
[Stability:]

Hygroscopic
[LogP]

-4.7 at 20℃
Hazard InformationBack Directory
[Chemical Properties]

Crystalline
[Uses]

Vitamin B1 Monophosphate Chloride is a precursor of thiamine pyrophosphate (T344070), a thiamine (T344185) derivative produced by enzyme thiamine pyrophosphatase. Thiamine pyrophosphate is a cofactor used to catalyze various biochemical reactions.
[Definition]

ChEBI: Thiamine(1+) monophosphate chloride is an organic chloride salt of thiamine(1+) monophosphate. It is an organic chloride salt and a vitamin B1. It contains a thiamine(1+) monophosphate.
[Flammability and Explosibility]

Notclassified
[Purification Methods]

Purify it by recrystallisation from aqueous HCl, EtOH slightly acidified with HCl, EtOH/Me2CO, H2O, or H2O/EtOH/Et2O. Dissolve it in a small volume of H2O and mix it with EtOH/Me2CO (1:1) to give the HCl.H2O as crystals. Filter it off, wash it with Et2O and dry it in a vacuum. The chloride hydrochloride, m 215-217o(dec) is obtained when it is crystallised from aqueous HCl. [Wenz et al. Justus Liebigs Ann Chem 618 2280 1958, Viscontini et al. Helv Chim Acta 34 1388 1951, Leichssenring & Schmidt Chem Ber 95 767 1962, McCormick & Wright Methods Enzymol 18A 141, 147 1970, Beilstein 27 III/IV 1766.]
Safety DataBack Directory
[WGK Germany ]

3
[F ]

3-10
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