367869
Brucine hydrate
technical grade
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About This Item
Product Name
Brucine hydrate, technical grade
InChI key
IEJIBKWJYHZFNW-SUJBTXFYSA-N
InChI
1S/C23H26N2O4.H2O/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;1H2/t13-,18-,19-,21-,22-,23+;/m0./s1
SMILES string
[H]O[H].[H][C@@]12CC(=O)N3c4cc(OC)c(OC)cc4[C@]56CC[N@H]7CC(=CCO1)[C@]([H])(C[C@@H]57)[C@]2([H])[C@]36[H]
grade
technical grade
form
solid
optical activity
[α]20/D −67°, c = 1.3 in ethanol
mp
177-180 °C (lit.)
functional group
ether
Quality Level
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Related Categories
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 2 Inhalation - Acute Tox. 2 Oral - 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
Not applicable
Regulatory Information
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