5-nitro-9-oxido-8-oxa-7-aza-9-azoniabicyclo[4.3.0]nona-2,4,6,9-tetraene

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Names

[ CAS No. ]:
18771-85-2

[ Name ]:
5-nitro-9-oxido-8-oxa-7-aza-9-azoniabicyclo[4.3.0]nona-2,4,6,9-tetraene

[Synonym ]:
Nitrobenzofuroxan
BENZOFURAZAN,4-NITRO-,1-OXIDE
4-Nitro-benzofurazan-1-oxid
B2789
2.3-Dinitroso-1-nitro-benzol
6-nitrobenzofuroxane
4-Nitrobenzofuroxan
4-nitrobenzofurazan-1-oxide

Chemical & Physical Properties

[ Density]:
1.87g/cm3

[ Boiling Point ]:
360.2ºC at 760 mmHg

[ Molecular Formula ]:
C6H3N3O4

[ Molecular Weight ]:
181.10600

[ Flash Point ]:
171.6ºC

[ Exact Mass ]:
181.01200

[ PSA ]:
97.31000

[ LogP ]:
1.68770

[ Vapour Pressure ]:
4.69E-05mmHg at 25°C

[ Index of Refraction ]:
1.764

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DF8029900
CHEMICAL NAME :
Benzofurazan, 4-nitro-, 1-oxide
CAS REGISTRY NUMBER :
18771-85-2
BEILSTEIN REFERENCE NO. :
0614209
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C6-H3-N3-O4
MOLECULAR WEIGHT :
181.12
WISWESSER LINE NOTATION :
T56 BNONJ BO FNW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
DNA inhibition
TEST SYSTEM :
Rodent - mouse Leukocyte
DOSE/DURATION :
3 umol/L
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 35,3735,1975

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2,6-Dinitroaniline
  • Benzofuroxan
  • Benzene,1-azido-2-nitro-
  • (5-methoxy-1-oxidobenzo[c][1,2,5]oxadiazol-4(5H)-ylidene)azinate
  • 4-methoxy-7-aci-nitro-4,7-dihydro-benzo[1,2,5]oxadiazole 3-oxide; deprotonated form

DownStream

  • 3-Nitro-1,2-benzenediamine
  • anisole, 2-bromo-4-nitro-
  • 2,1,3-Benzoxadiazole,4-nitro-
  • 1,2,3-trinitrobenzene
  • N-butyl-4-nitro-2,1,3-benzoxadiazol-7-amine

Related Compounds

  • (2R)-2-amino-4-(dimethylamino)-3-methylbutanoic acid
  • 3-Pyridinepropanoic acid, I(2)-amino-6-nitro-, (I(2)R)-
  • N-(3,5-Dichloro-4-methoxy-2-nitrophenyl)acetamide
  • Methyl (R)-1-methyl-5-oxopiperazine-2-carboxylate
  • Ethyl 2-amino-4,4-difluoropentanoate
  • 4-(Tert-butoxy)-2-chloropyridin-3-amine
  • 2-Amino-5,5-difluoro-4,4-dimethylhexanamide
  • 4-[3-(Morpholin-4-yl)propyl]piperidin-4-ol
  • Ethyl 1-(1,2-oxazol-3-yl)cyclobutane-1-carboxylate
  • 2-(2,4,6-Trihydroxyphenyl)prop-2-enoic acid
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