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Merck
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Key Documents

8.18308

Sigma-Aldrich

(-)-Brucine

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
MDL number:
MFCD00005942
UNSPSC Code:
12352210
EC Index Number:
206-614-7
NACRES:
NA.22

Quality Level

200

mp

175-178 °C

solubility

slightly soluble 3.2 g/L

bulk density

230 kg/m3

storage temp.

2-30°C

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

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

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Statements

H300 + H330 - H412

Hazard Classifications

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

Storage Class Code

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

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificates of Analysis (COA)

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