2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-HYDROXY-3-IODO-, p-NITROBENZOATE

CAS 2961-87-7 MFCD01734415

化学结构图

2961-87-7
SMILES: O=C(Oc1c(I)ccccc1=O)c1ccc([N+](=O)[O-])cc1

化学属性

Mol. FormulaC14H8INO5
Mol. Weight397.13

别名和识别编码

Chemical Name2,4,6-Cycloheptatrien-1-one, 2-hydroxy-3-iodo-, p-nitrobenzoate
Synonym 2-Hydroxy-3-iodo-2,4,6-cycloheptatrien-1-one p-nitrobenzoate
Wiswesser Line NotationL7VJ BOVR DNW& CI
Beilstein Registry Number2001865
CAS Number2961-87-7
InChIKeyIDYYUTZSVVKPAW-UHFFFAOYSA-N
PubChem Substance ID18074
InChIInChI=1S/C14H8INO5/c15-11-3-1-2-4-12(17)13(11)21-14(18)9-5-7-10(8-6-9)16(19)20/h1-8H
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安全信息

RTECSGU4100000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 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#03802

系列性分类

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