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8.18308

(-)-Brucine

Name: (-)-Brucine
Brand: MM

for resolution of racemates for synthesis

Synonym(s):

(-)-Brucine, 2,3-Dimethoxy strychnine

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About This Item

Empirical Formula (Hill Notation):

C₂₃H₂₆N₂O₄

CAS Number:

357-57-3

Molecular Weight:

394.46

UNSPSC Code:

12352210

EC Index Number:

206-614-7

NACRES:

NA.22

MDL number:

MFCD00005942

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Properties

Quality Level

200

mp

175-178 °C

solubility

slightly soluble 3.2 g/L

bulk density

230 kg/m³

storage temp.

2-30°C

SMILES string

N21[C@@H]3[C@@]4(C5N(c7c4cc(c(c7)OC)OC)C(=O)CC6OCC=C([C@@H]([C@@H]65)C3)C2)CC1

InChI

1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18?,19-,21-,22?,23+/m0/s1

InChI key

RRKTZKIUPZVBMF-PLNGPGDESA-N

Description

Analysis Note

Assay (HClO₄): ≥ 98.0 %
Melting range (lower value): ≥ 173 °C
Melting range (upper value): ≤ 178 °C
Spec. rotation [α²0/D (c=1 in ethanol): -86.0 - -80.0 °
Identity (IR): passes test

pictograms

GHS06

signalword

Danger

hcodes

H300 + H330 - H412

pcodes

P260 - P264 - P271 - P273 - P284 - P304 + P340 + P310

Hazard Classifications

Acute Tox. 1 Oral - Acute Tox. 2 Inhalation - Aquatic Chronic 3

Storage Class

6.1A - Combustible, acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c