1-methyl-6-nitro-9H-pyrido[3,4-b]indole

Names

[ CAS No. ]:
38314-91-9

[ Name ]:
1-methyl-6-nitro-9H-pyrido[3,4-b]indole

[Synonym ]:
6-Nitroharman
6-nitro-1-methyl-9H-pyrido[3,4-b]indole
6-nitro-harmane
9H-Pyrido(3,4-b)indole,1-methyl-6-nitro

Chemical & Physical Properties

[ Density]:
1.444g/cm3

[ Boiling Point ]:
476.7ºC at 760 mmHg

[ Molecular Formula ]:
C12H9N3O2

[ Molecular Weight ]:
227.21900

[ Flash Point ]:
242.1ºC

[ Exact Mass ]:
227.06900

[ PSA ]:
74.50000

[ LogP ]:
3.45590

[ Index of Refraction ]:
1.777

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UV0360500
CHEMICAL NAME :
9H-Pyrido(3,4-b)indole, 1-methyl-6-nitro-
CAS REGISTRY NUMBER :
38314-91-9
BEILSTEIN REFERENCE NO. :
0225341
LAST UPDATED :
199806
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H9-N3-O2
MOLECULAR WEIGHT :
227.24
WISWESSER LINE NOTATION :
T B656 EN HMJ F1 LNW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
63 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#12130

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Harmane
  • 1H-Pyrido[3,4-b]indole,2,3,4,9-tetrahydro-1-methyl-
  • tryptamine

DownStream

  • 1-methyl-9H-pyrido[3,4-b]indol-6-amine
  • 9H-Pyrido[3,4-b]indole, 6-bromo-1-methyl-

Related Compounds

  • 1-methyl-8-nitro-9H-pyrido[3,4-b]indole
  • 1-methyl-6-nitro-3,4-dihydro-2H-pyrido[3,4-b]indole
  • 1-Methyl-9H-pyrido[3,4-b]indole-3-methanamine
  • 1-methyl-9H-pyrido[3,4-b]indole-3-carbonitrile
  • 1-methyl-9H-pyrido[3,4-b]indole-13C2,15N
  • 1-Methyl-9H-pyrido[3,4-b]indole monohydroxy deriv.