cacotheline

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Names

[ CAS No. ]:
561-20-6

[ Name ]:
cacotheline

[Synonym ]:
4-Nitro-2,3-dioxo-2,3-dihydro-9,10-seco-strychnidin-10-saeure
2,3-Dihydro-4-nitro-2,3-dioxo-9,10-secostrychinidin-10-oic acid
4-nitro-2,3-dioxo-2,3-dihydro-9,10-seco-strychnidin-10-oic acid
MFCD00077211
NITROBRUCIQUINONE
CACOTHELIN
EINECS 209-215-6
2,3-dihydro-4-nitro-2,3-dioxo-10-secostrychnidin-10-oicacid
nitrobrucine
Cacotheline Monohydrate

Chemical & Physical Properties

[ Density]:
1.62 g/cm3

[ Boiling Point ]:
695.8ºC at 760 mmHg

[ Molecular Formula ]:
C21H21N3O7

[ Molecular Weight ]:
427.40700

[ Flash Point ]:
374.6ºC

[ Exact Mass ]:
427.13800

[ PSA ]:
141.76000

[ LogP ]:
0.82490

[ Index of Refraction ]:
1.71

MSDS

Safety Information

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
2811

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1(b)


Related Compounds

  • 3-(4-methanesulfonyl-1H-pyrazol-1-yl)pyridazine-4-carboxylic acid
  • [5-fluoro-2-(4-methanesulfonyl-1H-pyrazol-1-yl)phenyl]methanol
  • [3-fluoro-5-(4-methanesulfonyl-1H-pyrazol-1-yl)phenyl]methanol
  • (1R)-1-[2-chloro-6-(4-methanesulfonyl-1H-pyrazol-1-yl)phenyl]ethan-1-ol
  • [2-(4-methanesulfonyl-1H-pyrazol-1-yl)phenyl]methanol
  • [2-chloro-4-(4-methanesulfonyl-1H-pyrazol-1-yl)phenyl]methanol
  • [5-Cyclopropyl-4-(2-methylpropyl)-1,2-oxazol-3-yl]methanesulfonyl chloride
  • (5-Propyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanesulfonyl chloride
  • [5-(Propan-2-yl)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]methanesulfonyl chloride
  • [5-(propan-2-yl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanesulfonyl chloride
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