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1.08181

Thiamine chloride hydrochloride

Name: Thiamine chloride hydrochloride
Brand: MM

for biochemistry

Synonym(s):

Thiamine chloride hydrochloride, Aneurin hydrochloride, Vitamin B1

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About This Item

Empirical Formula (Hill Notation):

C₁₂H₁₇ClN₄OS · xHCl

CAS Number:

67-03-8

Molecular Weight:

300.81 (free base basis)

UNSPSC Code:

12352201

EC Index Number:

200-641-8

NACRES:

NA.21

MDL number:

MFCD00012780

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Properties

Quality Level

100

form

solid

potency

3710 mg/kg LD₅₀, oral (Rat)

pH

2.7-3.3 (20 °C, 25 g/L in H₂O)

mp

248 °C (decomposition)

bulk density

500 kg/m³

storage temp.

15-25°C

SMILES string

[s]1c[n+](c(c1CCO)C)Cc2c(nc(nc2)C)N.[Cl-].[Cl-].[H+]

InChI

1S/C12H17N4OS.2ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H/q+1;;/p-1

InChI key

DPJRMOMPQZCRJU-UHFFFAOYSA-M

Description

Analysis Note

Identity (IR-spectrum): conforms
Assay (Perchloric acid titration, calc. on anhydrous substance): ≥ 99.0 %
Sulphate (SO₄): ≤ 0.01 %
Nitrate (NO₃): ≤ 0.005 %
Heavy metals (as Pb): ≤ 0.001 %
Water: ≤ 5.0 %

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pictograms

GHS07

signalword

Warning

hcodes

H319

pcodes

P264 - P280 - P305 + P351 + P338 - P337 + P313

Hazard Classifications

Eye Irrit. 2

Storage Class

11 - Combustible Solids

wgk

WGK 1

flash_point_f

Not applicable

flash_point_c