5-(4-methylpiperazin-1-yl)-2-nitro-8-oxa-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraene

Modify Date: 2025-08-25 09:03:53

5-(4-methylpiperazin-1-yl)-2-nitro-8-oxa-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraene Structure
5-(4-methylpiperazin-1-yl)-2-nitro-8-oxa-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraene structure
Common Name 5-(4-methylpiperazin-1-yl)-2-nitro-8-oxa-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraene
CAS Number 58131-52-5 Molecular Weight 263.25300
Density 1.4g/cm3 Boiling Point 445.9ºC at 760 mmHg
Molecular Formula C11H13N5O3 Melting Point N/A
MSDS N/A Flash Point 223.5ºC

 Names

Name 7-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4g/cm3
Boiling Point 445.9ºC at 760 mmHg
Molecular Formula C11H13N5O3
Molecular Weight 263.25300
Flash Point 223.5ºC
Exact Mass 263.10200
PSA 91.22000
LogP 1.40890
Index of Refraction 1.638
InChIKey NKLHPLDRPGAXTQ-UHFFFAOYSA-N
SMILES CN1CCN(c2ccc([N+](=O)[O-])c3nonc23)CC1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DF8028400
CHEMICAL NAME :
Benzofurazan, 4-(4-methyl-1-piperazinyl)-7-nitro-
CAS REGISTRY NUMBER :
58131-52-5
LAST UPDATED :
199410
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C11-H13-N5-O3
MOLECULAR WEIGHT :
263.29
WISWESSER LINE NOTATION :
T56 BNONJ FNW I- AT6N DNTJ D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
DNA inhibition
TEST SYSTEM :
Rodent - mouse Leukocyte
DOSE/DURATION :
650 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

 Synonyms

4-Nitro-7-(N-methylpiperazinyl)benzofurazan
4-(4-Methyl-1-piperazinyl)-7-nitrobenzofurazan
BENZOFURAZAN,4-(4-METHYL-1-PIPERAZINYL)-7-NITRO
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